Molecule

ID:79464

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO
Molecular Mass
196.67332
Exact Mass
196.06549272
Charge
0
InChI
InChI=1S/C11H13ClO/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
InChIKey
OUOWCSJYDCPVDM-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)C(=O)Cl
Isomeric Smiles
O=C(c1ccc(cc1)CCCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.011286
LogD (pH = 7.4)
4.011286
Log P
4.011286
Molar Refractivity
56.0169
Polarizability
21.354942
Polar Surface Area
17.07
Rotatable Bonds
4
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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