Molecule

ID:30361

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂N₃
Molecular Mass
276.20536
Exact Mass
275.09560298
Charge
0
InChI
InChI=1S/C12H17N3.2ClH/c1-8(2)15-11-7-5-4-6-10(11)14-12(15)9(3)13;;/h4-9H,13H2,1-3H3;2*1H
InChIKey
NAHPQLFWXOPEDT-UHFFFAOYSA-N
Canonic Smiles
CC(c1nc2c(n1C(C)C)cccc2)N.Cl.Cl
Isomeric Smiles
c1(nc2c(n1C(C)C)cccc2)C(N)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5967717
LogD (pH = 7.4)
1.0480117
Log P
2.0242622
Molar Refractivity
61.3269
Polarizability
25.363506
Polar Surface Area
43.84
Rotatable Bonds
2
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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