Molecule

ID:84180

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNO₂
Molecular Mass
233.65042
Exact Mass
233.02435618
Charge
0
InChI
InChI=1S/C12H8ClNO2/c13-12(14(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
InChIKey
MOLRZRMOKDVRCT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C(=C/c1cccc2c1cccc2)/Cl
Isomeric Smiles
[N+](=O)(/C(=C/c1cccc2c1cccc2)/Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.928236
LogD (pH = 7.4)
3.928236
Log P
3.928236
Molar Refractivity
62.7338
Polarizability
25.085941
Polar Surface Area
45.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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