Molecule

ID:80222

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClO₂
Molecular Mass
256.68376
Exact Mass
256.02910721
Charge
0
InChI
InChI=1S/C15H9ClO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8H2
InChIKey
NVUYDKYMEMGYFP-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
Isomeric Smiles
O=C1c2c(ccc(c2)CCl)C(=O)c2ccccc12
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.505948
LogD (pH = 7.4)
3.505948
Log P
3.505948
Molar Refractivity
71.0179
Polarizability
26.953999
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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