Molecule

ID:76246

General Information
Structure
Molecular Formula
C₁₄H₁₀Cl₂O₂
Molecular Mass
281.134
Exact Mass
280.00578492
Charge
0
InChI
InChI=1S/C14H10Cl2O2/c15-12-6-5-11(8-13(12)16)10-3-1-9(2-4-10)7-14(17)18/h1-6,8H,7H2,(H,17,18)
InChIKey
OVVGQMBWSLQKKY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
O=C(Cc1ccc(cc1)c1cc(c(cc1)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
4.1209555
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0725496
LogD (pH = 7.4)
1.3806596
Log P
4.4663086
Molar Refractivity
72.1114
Polarizability
29.21731
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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