Molecule

ID:15569

General Information
Structure
Molecular Formula
C₁₂H₁₇Cl₂N₃
Molecular Mass
274.18948
Exact Mass
273.07995292
Charge
0
InChI
InChI=1S/C12H15N3.2ClH/c1-13-7-9-15-10-8-14-12(15)11-5-3-2-4-6-11;;/h2-6,8,10,13H,7,9H2,1H3;2*1H
InChIKey
IRDAPVOXLVJXKQ-UHFFFAOYSA-N
Canonic Smiles
CNCCn1ccnc1c1ccccc1.Cl.Cl
Isomeric Smiles
c1nc(n(c1)CCNC)c1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.026958
LogD (pH = 7.4)
-0.85779756
Log P
1.7388186
Molar Refractivity
71.7355
Polarizability
24.421429
Polar Surface Area
29.85
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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