Molecule

ID:90162

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO
Molecular Mass
239.74112
Exact Mass
239.10769188
Charge
0
InChI
InChI=1S/C13H18ClNO/c1-9(2)15(10(3)4)13(16)11-5-7-12(14)8-6-11/h5-10H,1-4H3
InChIKey
MGPPJDHMGGQMSG-UHFFFAOYSA-N
Canonic Smiles
CC(N(C(=O)c1ccc(cc1)Cl)C(C)C)C
Isomeric Smiles
N(C(=O)c1ccc(cc1)Cl)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4220488
LogD (pH = 7.4)
3.4220488
Log P
3.4220488
Molar Refractivity
68.0694
Polarizability
26.073832
Polar Surface Area
20.31
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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