Molecule

ID:76334

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂
Molecular Mass
235.6663
Exact Mass
235.04000625
Charge
0
InChI
InChI=1S/C12H9NO2.ClH/c14-9-10-4-6-11(7-5-10)15-12-3-1-2-8-13-12;/h1-9H;1H
InChIKey
LMSVMCIFFNAZRC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Oc1ccccn1.Cl
Isomeric Smiles
n1ccccc1Oc1ccc(cc1)C=O.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5627031
LogD (pH = 7.4)
2.562819
Log P
2.5628204
Molar Refractivity
57.0394
Polarizability
21.650984
Polar Surface Area
39.19
Rotatable Bonds
3
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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