Molecule

ID:28687

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₅Cl₂NO₂
Molecular Mass
430.3668
Exact Mass
429.12623441
Charge
0
InChI
InChI=1S/C24H25Cl2NO2/c25-20-11-12-24(23(26)17-20)29-15-5-4-14-27-21-9-6-10-22(18-21)28-16-13-19-7-2-1-3-8-19/h1-3,6-12,17-18,27H,4-5,13-16H2
InChIKey
WXNHLIUEGDHRLT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCCCCNc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
c1(cc(ccc1OCCCCNc1cc(OCCc2ccccc2)ccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.675467
LogD (pH = 7.4)
6.7302036
Log P
6.7309484
Molar Refractivity
121.7544
Polarizability
46.72528
Polar Surface Area
30.49
Rotatable Bonds
11
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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