Molecule

ID:130391

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄ClNO
Molecular Mass
329.86366
Exact Mass
329.15464207
Charge
0
InChI
InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2
InChIKey
FLNXBVJLPJNOSI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1ccccc1)OCCN1CCCCC1
Isomeric Smiles
Clc1ccc(cc1)C(OCCN1CCCCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0060399
LogD (pH = 7.4)
3.6740062
Log P
5.106318
Molar Refractivity
96.8738
Polarizability
38.01086
Polar Surface Area
12.47
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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