Molecule

ID:24048

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈Cl₃N₃
Molecular Mass
322.66112
Exact Mass
321.05663063
Charge
0
InChI
InChI=1S/C13H15N3.3ClH/c1-11-4-2-7-16-13(11)10-15-9-12-5-3-6-14-8-12;;;/h2-8,15H,9-10H2,1H3;3*1H
InChIKey
CIHVBRBMKUBLIJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccnc1CNCc1cccnc1.Cl.Cl.Cl
Isomeric Smiles
c1(c(cccn1)C)CNCc1cccnc1.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.64059776
LogD (pH = 7.4)
1.0147555
Log P
1.4156162
Molar Refractivity
64.1238
Polarizability
25.116224
Polar Surface Area
37.81
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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