Molecule

ID:7816

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClO
Molecular Mass
218.67884
Exact Mass
218.04984265
Charge
0
InChI
InChI=1S/C13H11ClO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2
InChIKey
QUYVTGFWFHQVRO-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(c1)Oc1ccccc1
Isomeric Smiles
c1(cc(ccc1)CCl)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0607753
LogD (pH = 7.4)
4.0607753
Log P
4.0607753
Molar Refractivity
62.1657
Polarizability
24.31226
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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