Molecule

ID:84932

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃ClO
Molecular Mass
256.72682
Exact Mass
256.06549272
Charge
0
InChI
InChI=1S/C16H13ClO/c1-12-4-2-6-14(10-12)16(18)9-8-13-5-3-7-15(17)11-13/h2-11H,1H3
InChIKey
PGAOGNJFKYQDSI-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)/C=C/C(=O)c1cccc(c1)C
Isomeric Smiles
O=C(c1cc(ccc1)C)/C=C/c1cccc(c1)Cl
Calculated Properties
JChem
Acid pKa
16.782574
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.0077915
LogD (pH = 7.4)
5.0077915
Log P
5.0077915
Molar Refractivity
76.723
Polarizability
28.967955
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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