Molecule

ID:44690

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClNO₂
Molecular Mass
253.72464
Exact Mass
253.08695644
Charge
0
InChI
InChI=1S/C13H16ClNO2/c1-17-13(16)11-6-5-10(9-12(11)14)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKey
GKOIROWGVZZOAC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1Cl)N1CCCCC1
Isomeric Smiles
c1(c(cc(N2CCCCC2)cc1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.539085
LogD (pH = 7.4)
3.5391762
Log P
3.5391774
Molar Refractivity
69.4587
Polarizability
26.266453
Polar Surface Area
29.54
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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