Molecule

ID:103938

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₅ClN₂O
Molecular Mass
403.0005
Exact Mass
402.24379143
Charge
0
InChI
InChI=1S/C24H34N2O.ClH/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H
InChIKey
JXBBWYGMTNAYNM-UHFFFAOYSA-N
Canonic Smiles
CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C.Cl
Isomeric Smiles
Cl.CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2161436
LogD (pH = 7.4)
3.7309508
Log P
5.4872994
Molar Refractivity
115.1172
Polarizability
44.71466
Polar Surface Area
15.71
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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