Molecule

ID:79462

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClO
Molecular Mass
210.6999
Exact Mass
210.08114278
Charge
0
InChI
InChI=1S/C12H15ClO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3
InChIKey
FBBRKYLXMNQFQU-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)C(=O)Cl
Isomeric Smiles
O=C(c1ccc(cc1)CCCCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4558544
LogD (pH = 7.4)
4.4558544
Log P
4.4558544
Molar Refractivity
60.6179
Polarizability
23.196424
Polar Surface Area
17.07
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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