Molecule

ID:131951

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁Cl₂N₃
Molecular Mass
362.29614
Exact Mass
361.11125305
Charge
0
InChI
InChI=1S/C19H20ClN3.ClH/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;/h1-2,5-10H,3-4,11-14H2;1H
InChIKey
DNFMJYXRIMLMBZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cn1c(CN2CCCC2)nc2c1cccc2.Cl
Isomeric Smiles
c1ccc2c(c1)nc(n2Cc1ccc(cc1)Cl)CN1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.012405
LogD (pH = 7.4)
3.7269661
Log P
4.2320585
Molar Refractivity
94.6933
Polarizability
37.896534
Polar Surface Area
21.06
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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