Molecule

ID:23932

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂N₃
Molecular Mass
274.18948
Exact Mass
273.07995292
Charge
0
InChI
InChI=1S/C12H15N3.2ClH/c1-9-8-12(14-7-6-13)10-4-2-3-5-11(10)15-9;;/h2-5,8H,6-7,13H2,1H3,(H,14,15);2*1H
InChIKey
JNDRTNUFJKNFQV-UHFFFAOYSA-N
Canonic Smiles
NCCNc1cc(C)nc2c1cccc2.Cl.Cl
Isomeric Smiles
c12c(nc(cc1NCCN)C)cccc2.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.852794
LogD (pH = 7.4)
-2.4526196
Log P
0.93806493
Molar Refractivity
62.7144
Polarizability
25.12627
Polar Surface Area
50.94
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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