Molecule

ID:56640

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO₂
Molecular Mass
212.67272
Exact Mass
212.06040734
Charge
0
InChI
InChI=1S/C11H13ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChIKey
KMGCTFHTBKBITO-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)C(=O)Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3303862
LogD (pH = 7.4)
3.3303862
Log P
3.3303862
Molar Refractivity
57.5095
Polarizability
22.119734
Polar Surface Area
26.3
Rotatable Bonds
5
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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