Molecule

ID:91581

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉ClO
Molecular Mass
216.66296
Exact Mass
216.03419259
Charge
0
InChI
InChI=1S/C13H9ClO/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-9H
InChIKey
IRBHAVWDSJLCAS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1ccc(cc1)Cl
Isomeric Smiles
O=Cc1c(cccc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9370182
LogD (pH = 7.4)
3.9370182
Log P
3.9370182
Molar Refractivity
62.583
Polarizability
25.06457
Polar Surface Area
17.07
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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