Molecule

ID:29591

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆ClNO₂
Molecular Mass
395.92174
Exact Mass
395.16520676
Charge
0
InChI
InChI=1S/C24H26ClNO2/c1-19(28-24-15-6-5-14-23(24)25)18-26-21-12-7-13-22(17-21)27-16-8-11-20-9-3-2-4-10-20/h2-7,9-10,12-15,17,19,26H,8,11,16,18H2,1H3
InChIKey
FZDUGAMKCRJAFA-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1Cl)CNc1cccc(c1)OCCCc1ccccc1
Isomeric Smiles
c1(OC(CNc2cc(OCCCc3ccccc3)ccc2)C)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.4034424
LogD (pH = 7.4)
6.4106326
Log P
6.410725
Molar Refractivity
116.4594
Polarizability
44.87751
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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