Molecule
ID:89280
General Information
Molecular Formula
C₁₅H₁₀Cl₂O
Molecular Mass
277.1453
Exact Mass
276.0108703
Charge
0
InChI
InChI=1S/C15H10Cl2O/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-10H
InChIKey
MAHZJRXLVQTYEA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1ccc(cc1Cl)Cl)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
16.372725
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
29.077854
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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