Molecule

ID:53476

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆ClNO₂
Molecular Mass
323.85754
Exact Mass
323.16520676
Charge
0
InChI
InChI=1S/C18H25NO2.ClH/c1-3-17(13-7-5-4-6-8-13)18(20)21-16-11-14-9-10-15(12-16)19(14)2;/h4-8,14-17H,3,9-12H2,1-2H3;1H
InChIKey
VEUYDINLFCGWRM-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1)C(=O)OC1CC2CCC(C1)N2C.Cl
Isomeric Smiles
N1(C2CC(OC(=O)C(c3ccccc3)CC)CC1CC2)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.054761764
LogD (pH = 7.4)
1.3195957
Log P
3.2965808
Molar Refractivity
83.6427
Polarizability
33.26482
Polar Surface Area
29.54
Rotatable Bonds
5
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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