Molecule

ID:56744

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₂
Molecular Mass
212.67272
Exact Mass
212.06040734
Charge
0
InChI
InChI=1S/C11H13ClO2/c1-8-4-6-9(7-5-8)14-11(2,3)10(12)13/h4-7H,1-3H3
InChIKey
NNHUHOBNVSNTGT-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc(cc1)C)(C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1ccc(cc1)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.341839
LogD (pH = 7.4)
3.341839
Log P
3.341839
Molar Refractivity
56.7127
Polarizability
22.073833
Polar Surface Area
26.3
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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