222
1
2
3
4
7
1
1
1
1
1
1
2
3
4
1
1
1
1
3
1
2
3
4
2.5369
3.0739
2
2.5369
0.155
0.465
0.465
-0.465
0
Compound
Canonicalized
5
2011.04.04
1
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
17.03052
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
17.026549
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
17.026549
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.04.04
H3N
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
InChI=1S/H3N/h1H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.04.04
QGZKDVFQNNGYKY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.04.04
-0.7
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.04.04
N
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.04.04
N
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.04.04
azane
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.04.04
ammonia
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.04.04
ammonia
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.04.04
ammonia
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.04.04
azane
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.04.04
1
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.04.04
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.04.04
0
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.04.04
0
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.04.04
1
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.04.04
00000371000200000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000
1
0
0
0
0
0
0
0
1
1