Molecule

ID:113502

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClO₂
Molecular Mass
222.66754
Exact Mass
222.04475727
Charge
0
InChI
InChI=1S/C12H11ClO2/c1-7-3-8(2)12-9(6-13)5-11(14)15-10(12)4-7/h3-5H,6H2,1-2H3
InChIKey
UAHMLRJDORGFNT-UHFFFAOYSA-N
Canonic Smiles
ClCc1cc(=O)oc2c1c(C)cc(c2)C
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(cc2C)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1834178
LogD (pH = 7.4)
3.1834178
Log P
3.1834178
Molar Refractivity
60.7387
Polarizability
22.892956
Polar Surface Area
26.3
Rotatable Bonds
1
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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