Molecule

ID:56832

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂O₂
Molecular Mass
281.134
Exact Mass
280.00578492
Charge
0
InChI
InChI=1S/C14H10Cl2O2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2
InChIKey
KZUWGBQDZRAHKH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1COc1ccc(cc1)C(=O)Cl
Isomeric Smiles
c1cc(ccc1OCc1ccccc1Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.335005
LogD (pH = 7.4)
4.335005
Log P
4.335005
Molar Refractivity
73.0533
Polarizability
28.065056
Polar Surface Area
26.3
Rotatable Bonds
4
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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