Molecule

ID:29350

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁Cl₂NO₃
Molecular Mass
382.28094
Exact Mass
381.0898489
Charge
0
InChI
InChI=1S/C19H21Cl2NO3/c20-14-3-8-19(18(21)12-14)24-11-9-22-15-4-6-16(7-5-15)25-13-17-2-1-10-23-17/h3-8,12,17,22H,1-2,9-11,13H2
InChIKey
SGHUUTBCESHPMD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCCNc1ccc(cc1)OCC1CCCO1
Isomeric Smiles
c1(cc(ccc1OCCNc1ccc(OCC2OCCC2)cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.392769
LogD (pH = 7.4)
4.556534
Log P
4.5590806
Molar Refractivity
101.1315
Polarizability
39.044453
Polar Surface Area
39.72
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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