Molecule

ID:76228

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀Cl₄N₂
Molecular Mass
394.1661
Exact Mass
392.03805937
Charge
0
InChI
InChI=1S/C17H18Cl2N2.2ClH/c18-15-7-6-14(12-16(15)19)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;;/h1-7,12,17,20H,8-11H2;2*1H
InChIKey
CGYMCHPXJXODCN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)C(c1ccccc1)N1CCNCC1.Cl.Cl
Isomeric Smiles
N1(C(c2cc(c(cc2)Cl)Cl)c2ccccc2)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2535676
LogD (pH = 7.4)
2.5678463
Log P
4.3710437
Molar Refractivity
89.2485
Polarizability
35.20369
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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