Molecule

ID:67709

General Information
Structure
Molecular Formula
C₉H₅ClN₂O₂
Molecular Mass
208.6012
Exact Mass
208.00395509
Charge
0
InChI
InChI=1S/C9H5ClN2O2/c10-9-7-2-1-3-8(12(13)14)6(7)4-5-11-9/h1-5H
InChIKey
ABMIIJPKPFSMLK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc2c1ccnc2Cl
Isomeric Smiles
c1(nccc2c(cccc12)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5092554
LogD (pH = 7.4)
2.5092561
Log P
2.5092561
Molar Refractivity
52.5379
Polarizability
20.750568
Polar Surface Area
56.03
Rotatable Bonds
1
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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