Mrv1652303192001413D          

  4  4  0  0  0  0            999 V2000
    1.3583   -0.1933    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -0.3179    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0425    0.0516   -0.4874 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7736    1.0346    0.1747 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <DATABASE_ID>
CDB000513

> <DATABASE_NAME>
CDB

> <SMILES>
C[C@H]1CN1

> <INCHI_IDENTIFIER>
InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3/t3-/m0/s1

> <INCHI_KEY>
OZDGMOYKSFPLSE-VKHMYHEASA-N

> <FORMULA>
C3H7N

> <MOLECULAR_WEIGHT>
57.096

> <EXACT_MASS>
57.057849229

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
6.7770117466036455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-methylaziridine

> <ALOGPS_LOGP>
-0.47

> <JCHEM_LOGP>
0.05217160966666666

> <ALOGPS_LOGS>
0.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.94583846484321

> <JCHEM_POLAR_SURFACE_AREA>
21.94

> <JCHEM_REFRACTIVITY>
17.1432

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.28e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-methylaziridine

> <JCHEM_VEBER_RULE>
1

> <Cannabis Database ID>
CDB000513

> <GENERIC_NAME>
2-Methylaziridine

$$$$