Molecule

ID:56642

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₂
Molecular Mass
212.67272
Exact Mass
212.06040734
Charge
0
InChI
InChI=1S/C11H13ClO2/c1-8(2)7-14-10-5-3-4-9(6-10)11(12)13/h3-6,8H,7H2,1-2H3
InChIKey
MZEIEHVQQRRKNM-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)C(=O)Cl)C
Isomeric Smiles
C(=O)(c1cc(OCC(C)C)ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2507904
LogD (pH = 7.4)
3.2507904
Log P
3.2507904
Molar Refractivity
57.3801
Polarizability
22.120403
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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