Molecule

ID:15680

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉Cl₂N₃
Molecular Mass
288.21606
Exact Mass
287.09560298
Charge
0
InChI
InChI=1S/C13H17N3.2ClH/c1-10-7-11(2)16(15-10)13-6-4-5-12(8-13)9-14-3;;/h4-8,14H,9H2,1-3H3;2*1H
InChIKey
WXJMWCPMMZNONA-UHFFFAOYSA-N
Canonic Smiles
CNCc1cccc(c1)n1nc(cc1C)C.Cl.Cl
Isomeric Smiles
c1(cccc(c1)CNC)n1nc(cc1C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2611132
LogD (pH = 7.4)
-0.4249357
Log P
1.9483446
Molar Refractivity
67.4089
Polarizability
26.18079
Polar Surface Area
29.85
Rotatable Bonds
3
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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