Molecule

ID:62248

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆Cl₂N₄
Molecular Mass
299.19894
Exact Mass
298.07520189
Charge
0
InChI
InChI=1S/C13H14N4.2ClH/c1-9-10-5-7-14-8-12(10)17-13(16-9)11-4-2-3-6-15-11;;/h2-4,6,14H,5,7-8H2,1H3;2*1H
InChIKey
SREAZSUIACUYNE-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(nc2c1CCNC2)c1ccccn1.Cl.Cl
Isomeric Smiles
c1(nc2c(c(n1)C)CCNC2)c1ncccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0906748
LogD (pH = 7.4)
0.6644806
Log P
1.467159
Molar Refractivity
76.2314
Polarizability
25.941357
Polar Surface Area
50.7
Rotatable Bonds
1
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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