Molecule

ID:15570

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂N₃
Molecular Mass
274.18948
Exact Mass
273.07995292
Charge
0
InChI
InChI=1S/C12H15N3.2ClH/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11;;/h1-3,5-6,8,10H,4,7,9,13H2;2*1H
InChIKey
AFTAITRPVMYQRQ-UHFFFAOYSA-N
Canonic Smiles
NCCCn1ccnc1c1ccccc1.Cl.Cl
Isomeric Smiles
c1nc(n(c1)CCCN)c1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2575521
LogD (pH = 7.4)
-1.3213533
Log P
1.3661981
Molar Refractivity
71.8263
Polarizability
24.421486
Polar Surface Area
43.84
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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