Molecule

ID:15912

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂N₃
Molecular Mass
274.18948
Exact Mass
273.07995292
Charge
0
InChI
InChI=1S/C12H15N3.2ClH/c1-15-9-8-14-12(15)7-6-10-4-2-3-5-11(10)13;;/h2-5,8-9H,6-7,13H2,1H3;2*1H
InChIKey
HGKAXYGQOVFTTA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1CCc1nccn1C.Cl.Cl
Isomeric Smiles
c1nc(n(c1)C)CCc1ccccc1N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6414429
LogD (pH = 7.4)
1.4520127
Log P
1.6514992
Molar Refractivity
62.3735
Polarizability
23.171936
Polar Surface Area
43.84
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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