Molecule

ID:85071

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₅ClO
Molecular Mass
342.8176
Exact Mass
342.08114278
Charge
0
InChI
InChI=1S/C23H15ClO/c24-20-6-3-4-16(14-20)8-13-23(25)19-12-11-18-10-9-17-5-1-2-7-21(17)22(18)15-19/h1-15H
InChIKey
ALSSJJSVZAXYOI-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)/C=C/C(=O)c1ccc2c(c1)c1ccccc1cc2
Isomeric Smiles
O=C(c1cc2c3c(ccc2cc1)cccc3)/C=C/c1cccc(c1)Cl
Calculated Properties
JChem
Acid pKa
16.670565
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.4733233
LogD (pH = 7.4)
6.4733233
Log P
6.4733233
Molar Refractivity
104.5822
Polarizability
42.391644
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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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