Molecule

ID:73931

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClO₂
Molecular Mass
256.68376
Exact Mass
256.02910721
Charge
0
InChI
InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
InChIKey
NJDUWAXIURWWLN-UHFFFAOYSA-N
Canonic Smiles
O=C1C(c2ccc(cc2)Cl)C(=O)c2c1cccc2
Isomeric Smiles
O=C1c2c(cccc2)C(=O)C1c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
4.4046597
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3594756
LogD (pH = 7.4)
0.7001288
Log P
3.4849498
Molar Refractivity
70.0383
Polarizability
26.679659
Polar Surface Area
34.14
Rotatable Bonds
1
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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