Molecule

ID:36532

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂
Molecular Mass
235.6663
Exact Mass
235.04000625
Charge
0
InChI
InChI=1S/C12H10ClNO2/c1-8-2-4-9(5-3-8)6-10-11(7-13)14-16-12(10)15/h2-6H,7H2,1H3/b10-6+
InChIKey
VUSJRRXBGYNHSH-UXBLZVDNSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccc(cc1)C
Isomeric Smiles
C\1(=C\c2ccc(cc2)C)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7127676
LogD (pH = 7.4)
3.712772
Log P
3.712772
Molar Refractivity
62.8092
Polarizability
23.729628
Polar Surface Area
38.66
Rotatable Bonds
2
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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