Mrv0541 05031418472D          

  3  2  0  0  0  0            999 V2000
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  2  0  0  0  0
M  CHG  2   2  -1   3   1
M  END
> <DATABASE_ID>
CHEM004221

> <DATABASE_NAME>
chemdb

> <SMILES>
C=[N+]=[N-]

> <INCHI_IDENTIFIER>
InChI=1S/CH2N2/c1-3-2/h1H2

> <INCHI_KEY>
YXHKONLOYHBTNS-UHFFFAOYSA-N

> <FORMULA>
CH2N2

> <MOLECULAR_WEIGHT>
42.04

> <EXACT_MASS>
42.021798074

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
3.612023683501505

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diazomethane

> <ALOGPS_LOGP>
0.25

> <JCHEM_LOGP>
-1.9753160408759456

> <ALOGPS_LOGS>
-0.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.567383761395707

> <JCHEM_PKA_STRONGEST_BASIC>
-7.901218677892012

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
9.007

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diazomethane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Diazomethane

> <CAS>
334-88-3

$$$$