Molecule

ID:115929

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄
Molecular Mass
202.25566
Exact Mass
202.12184647
Charge
0
InChI
InChI=1S/C11H14N4/c1-2-4-10-9(3-1)13-11(14-10)15-7-5-12-6-8-15/h1-4,12H,5-8H2,(H,13,14)
InChIKey
NZXGDKLTTHIYTB-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nc2c([nH]1)cccc2
Isomeric Smiles
c1(nc2c([nH]1)cccc2)N1CCNCC1
Calculated Properties
JChem
Acid pKa
12.285087
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9602724
LogD (pH = 7.4)
0.050546262
Log P
1.5158695
Molar Refractivity
59.6258
Polarizability
23.96652
Polar Surface Area
43.95
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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