Mrv1652309042000002D          

  4  3  0  0  0  0            999 V2000
    1.3334   -0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957   -0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0000294

> <DATABASE_NAME>
bmdb

> <SMILES>
NC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

> <INCHI_KEY>
XSQUKJJJFZCRTK-UHFFFAOYSA-N

> <FORMULA>
CH4N2O

> <MOLECULAR_WEIGHT>
60.0553

> <EXACT_MASS>
60.03236276

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
5.102881409078858

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
urea

> <ALOGPS_LOGP>
-1.78

> <JCHEM_LOGP>
-1.3638338616666665

> <ALOGPS_LOGS>
0.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.731965106806726

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3686972237578967

> <JCHEM_POLAR_SURFACE_AREA>
69.11

> <JCHEM_REFRACTIVITY>
13.1426

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.12e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
urea

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0000294

> <GENERIC_NAME>
Urea

> <SYNONYMS>
Alphadrate; Aqua care; Aqua care HP; Aquacare HP; ARF; B-I-k; beta-I-k; Breathtek ubt for h-pylori; Bromisovalum; Bubber shet; Calmurid; Calmurid HC; Carbaderm; Carbamex 330mgms; Carbamide; Carbamide resin; Carbamimic acid; Carbamimidic acid; Carbonyl diamide; Carbonyl diamine; Carbonyldiamide; Carbonyldiamine; Carmol; Carmol 40; Carmol HC; Caswell No. 902; Dermaflex 20 Urea Cream 20%; Dermaflex Crm 10%; Dermal therapy-finger care; Dermal therapy-hand elbow and knee cream; Dermal therapy-heel care; Elaqua XX; Eucerin Lotion 10% D'uree; Harnstoff; Harnstoff [german]; Helicosol; Hyanit; Isourea; Keratinamin; Keratinamin kowa; Lotion; Mocovina; Mocovina [czech]; Murine ear wax removal system/murine ear drops; Nutraplus; Onychomal; Optigen 1200; Panafil; Pastaron; Pastaron (TN); Pastaron 10; Pastaron 20; Pastaron 20 soft; Pastaron soft; Polyurea; Prespersion 75 urea; Pseudourea; Pylori-chek breath test; Rubinol ST 010; Simply botanical sensations healing hands; Supercel 3000; Superprill; U-cort; Ultra mide; Ultra Mide 25; URE; Urea; Urea (JP15/USP); Urea ammonium nitrate solution; Urea homopolymer; Urea perhydrate; Urea solution; Urea-13C; Ureacin-10 lotion; Ureacin-20; Ureacin-40 Creme; Ureaphil; Urederm Cream 10%; Uree 20 Cream; Uremol 10 Cream 10%; Uremol 10 Lotion 10%; Uremol 20 Cream 20%; Ureophil; Urepeal; Urepeal l; Urepearl; Urevert; Urisec 22% Crm; Urisec Lotion 12%; Varioform II

$$$$