Molecule

ID:79463

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClO
Molecular Mass
224.72648
Exact Mass
224.09679284
Charge
0
InChI
InChI=1S/C13H17ClO/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3
InChIKey
XRAHLPNMIIAEPP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1ccc(cc1)C(=O)Cl
Isomeric Smiles
O=C(c1ccc(cc1)CCCCCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.900423
LogD (pH = 7.4)
4.900423
Log P
4.900423
Molar Refractivity
65.2189
Polarizability
25.038647
Polar Surface Area
17.07
Rotatable Bonds
6
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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