Molecule

ID:9917

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClO
Molecular Mass
218.67884
Exact Mass
218.04984265
Charge
0
InChI
InChI=1S/C13H11ClO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
OBCBJNFGAMHBTC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
c1cc(ccc1OCc1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1440926
LogD (pH = 7.4)
4.1440926
Log P
4.1440926
Molar Refractivity
61.9386
Polarizability
24.294743
Polar Surface Area
9.23
Rotatable Bonds
3
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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