Molecule

ID:82086

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂O₂
Molecular Mass
293.1447
Exact Mass
292.00578492
Charge
0
InChI
InChI=1S/C15H10Cl2O2/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9,18H
InChIKey
QOSCTBAYXJCLFA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)O)/C=C/c1c(Cl)cccc1Cl
Isomeric Smiles
O=C(c1ccc(cc1)O)/C=C/c1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
7.8728013
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7930245
LogD (pH = 7.4)
4.6697793
Log P
4.7948494
Molar Refractivity
78.4675
Polarizability
29.684425
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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