Molecule

ID:75401

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₂
Molecular Mass
281.134
Exact Mass
280.00578492
Charge
0
InChI
InChI=1S/C14H10Cl2O2/c1-8-6-13(17)10(7-12(8)16)14(18)9-4-2-3-5-11(9)15/h2-7,17H,1H3
InChIKey
CPVBZQZTHLHWLI-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(C)c(cc1C(=O)c1ccccc1Cl)Cl
Isomeric Smiles
O=C(c1c(cccc1)Cl)c1cc(c(cc1O)C)Cl
Calculated Properties
JChem
Acid pKa
7.7003193
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.4978347
LogD (pH = 7.4)
5.3258195
Log P
5.500544
Molar Refractivity
73.2652
Polarizability
28.103865
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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