Molecule

ID:56347

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClNO₂
Molecular Mass
271.6984
Exact Mass
271.04000625
Charge
0
InChI
InChI=1S/C15H10ClNO2/c1-9-6-7-14(19-9)13-8-11(15(16)18)10-4-2-3-5-12(10)17-13/h2-8H,1H3
InChIKey
LHFBENHCOAVYAR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)c1oc(cc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6146963
LogD (pH = 7.4)
3.6146967
Log P
3.6146967
Molar Refractivity
73.3988
Polarizability
30.292336
Polar Surface Area
43.1
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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