Molecule

ID:90156

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN₃O₂
Molecular Mass
201.61032
Exact Mass
201.03050419
Charge
0
InChI
InChI=1S/C7H7N3O2.ClH/c8-7(9)5-1-3-6(4-2-5)10(11)12;/h1-4H,(H3,8,9);1H
InChIKey
CJXJAUKCHHAJQN-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(cc1)[N+](=O)[O-].Cl
Isomeric Smiles
NC(=N)c1ccc(cc1)[N+](=O)[O-].Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5793138
LogD (pH = 7.4)
-1.4209971
Log P
0.83369845
Molar Refractivity
54.051
Polarizability
15.923403
Polar Surface Area
93.01
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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