Molecule

ID:84119

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅ClO
Molecular Mass
270.7534
Exact Mass
270.08114278
Charge
0
InChI
InChI=1S/C17H15ClO/c1-12-3-9-16(13(2)11-12)17(19)10-6-14-4-7-15(18)8-5-14/h3-11H,1-2H3
InChIKey
TZHDAWCYHAWRAC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/C(=O)c1ccc(cc1C)C
Isomeric Smiles
O=C(c1ccc(cc1C)C)/C=C/c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
17.100487
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.5212126
LogD (pH = 7.4)
5.5212126
Log P
5.5212126
Molar Refractivity
81.7642
Polarizability
30.73306
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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