Molecule

ID:128042

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₆
Molecular Mass
320.82044
Exact Mass
320.15162238
Charge
0
InChI
InChI=1S/C15H21ClN6/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11H2
InChIKey
AHCPKWJUALHOPH-UHFFFAOYSA-N
Canonic Smiles
Clc1cnn(c1)CCCCN1CCN(CC1)c1ncccn1
Isomeric Smiles
Clc1cn(nc1)CCCCN1CCN(c2ncccn2)CC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.13706812
LogD (pH = 7.4)
1.582515
Log P
2.0946329
Molar Refractivity
100.4542
Polarizability
33.445198
Polar Surface Area
50.08
Rotatable Bonds
6
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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