Mrv1652309042000392D
1 0 0 0 0 0 999 V2000
0.0000 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
M CHG 1 1 1
M END
> <DATABASE_ID>
NP0044391
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[NH4+]
> <INCHI_IDENTIFIER>
InChI=1S/H3N/h1H3/p+1
> <INCHI_KEY>
QGZKDVFQNNGYKY-UHFFFAOYSA-O
> <FORMULA>
H4N
> <MOLECULAR_WEIGHT>
18.0385
> <EXACT_MASS>
18.034374133
> <JCHEM_ACCEPTOR_COUNT>
0
> <JCHEM_ATOM_COUNT>
5
> <JCHEM_AVERAGE_POLARIZABILITY>
2.380178155685953
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
1
> <JCHEM_FORMAL_CHARGE>
1
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
azanium
> <JCHEM_LOGP>
-0.9779999999999999
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA_STRONGEST_BASIC>
8.861981369487705
> <JCHEM_POLAR_SURFACE_AREA>
0.0
> <JCHEM_REFRACTIVITY>
16.3149
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <JCHEM_TRADITIONAL_IUPAC>
azanium
> <JCHEM_VEBER_RULE>
1
$$$$