Molecule

ID:81291

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂O
Molecular Mass
253.1239
Exact Mass
252.0108703
Charge
0
InChI
InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey
PHUYGURFBULKPA-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)C(c1ccc(cc1)Cl)O
Calculated Properties
JChem
Acid pKa
13.667347
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.1982255
LogD (pH = 7.4)
4.1982255
Log P
4.1982255
Molar Refractivity
66.7663
Polarizability
26.096092
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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