Molecule

ID:82255

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂O
Molecular Mass
277.1453
Exact Mass
276.0108703
Charge
0
InChI
InChI=1S/C15H10Cl2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H
InChIKey
YMEMCRBNZSLQCQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)Cl
Isomeric Smiles
O=C(c1ccc(cc1)Cl)/C=C/c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
16.81071
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.098415
LogD (pH = 7.4)
5.098415
Log P
5.098415
Molar Refractivity
76.4866
Polarizability
29.054012
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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