Molecule

ID:62543

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆Cl₃N₅
Molecular Mass
358.73804
Exact Mass
357.1253789
Charge
0
InChI
InChI=1S/C13H23N5.3ClH/c1-14-12-8-10(9-18(2)3)16-13(17-12)11-6-4-5-7-15-11;;;/h8,11,15H,4-7,9H2,1-3H3,(H,14,16,17);3*1H
InChIKey
LCRSPOJXANIXAV-UHFFFAOYSA-N
Canonic Smiles
CNc1cc(CN(C)C)nc(n1)C1CCCCN1.Cl.Cl.Cl
Isomeric Smiles
n1c(nc(cc1NC)CN(C)C)C1NCCCC1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.9958296
LogD (pH = 7.4)
0.8738929
Log P
1.281234
Molar Refractivity
75.8961
Polarizability
28.56711
Polar Surface Area
53.08
Rotatable Bonds
4
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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