Molecule

ID:29511

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆ClNO₂
Molecular Mass
395.92174
Exact Mass
395.16520676
Charge
0
InChI
InChI=1S/C24H26ClNO2/c1-19-18-21(25)9-14-24(19)28-17-15-26-22-10-12-23(13-11-22)27-16-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,18,26H,5,8,15-17H2,1H3
InChIKey
UMKJMXKKKGTDFY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C)OCCNc1ccc(cc1)OCCCc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCNc1ccc(cc1)OCCCc1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.3376045
LogD (pH = 7.4)
6.5049567
Log P
6.507571
Molar Refractivity
117.0818
Polarizability
44.771683
Polar Surface Area
30.49
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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