Molecule

ID:73287

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈ClNO₂
Molecular Mass
325.87342
Exact Mass
325.18085682
Charge
0
InChI
InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H
InChIKey
KNZADIMHVBBPOA-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1.Cl
Isomeric Smiles
c1c(ccc(c1)C(=O)CCN1CCCCC1)OCCCC.Cl
Calculated Properties
JChem
Acid pKa
15.88437
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9010787
LogD (pH = 7.4)
2.6680264
Log P
3.6759984
Molar Refractivity
87.068
Polarizability
33.962772
Polar Surface Area
29.54
Rotatable Bonds
8
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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