Molecule

ID:91597

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO
Molecular Mass
230.68954
Exact Mass
230.04984265
Charge
0
InChI
InChI=1S/C14H11ClO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3
InChIKey
NPGUSEJJJVVVME-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ccc(cc1)C(=O)C
Isomeric Smiles
O=C(c1ccc(cc1)c1ccc(cc1)Cl)C
Calculated Properties
JChem
Acid pKa
16.09155
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7821634
LogD (pH = 7.4)
3.7821634
Log P
3.7821634
Molar Refractivity
66.4018
Polarizability
26.906748
Polar Surface Area
17.07
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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