Molecule

ID:84111

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂O
Molecular Mass
277.1453
Exact Mass
276.0108703
Charge
0
InChI
InChI=1S/C15H10Cl2O/c16-12-5-3-4-11(10-12)8-9-15(18)13-6-1-2-7-14(13)17/h1-10H
InChIKey
PGNJPPYRDJUKDJ-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)/C=C/C(=O)c1ccccc1Cl
Isomeric Smiles
O=C(c1c(cccc1)Cl)/C=C/c1cc(ccc1)Cl
Calculated Properties
JChem
Acid pKa
16.25311
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
29.068419
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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