Molecule

ID:52998

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNO₂
Molecular Mass
183.59174
Exact Mass
183.00870612
Charge
0
InChI
InChI=1S/C8H6ClNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+
InChIKey
GLJATYFHELDGEA-AATRIKPKSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/[N+](=O)[O-]
Isomeric Smiles
c1(ccc(cc1)/C=C/[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7313926
LogD (pH = 7.4)
2.7313926
Log P
2.7313926
Molar Refractivity
46.8531
Polarizability
17.641493
Polar Surface Area
45.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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