Molecule

ID:53280

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₅
Molecular Mass
187.20126
Exact Mass
187.08579531
Charge
0
InChI
InChI=1S/C9H9N5/c1-8-11-12-13-14(8)10-7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChIKey
WPEIMSRVCICHJM-JXMROGBWSA-N
Canonic Smiles
Cc1nnnn1/N=C/c1ccccc1
Isomeric Smiles
n1(nnnc1C)/N=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.8222256
LogD (pH = 7.4)
0.8222257
Log P
0.8222257
Molar Refractivity
66.1777
Polarizability
19.308401
Polar Surface Area
55.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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