Molecule

ID:33906

General Information
Structure
Molecular Formula
C₁₁H₁₄N₄
Molecular Mass
202.25566
Exact Mass
202.12184647
Charge
0
InChI
InChI=1S/C11H14N4/c1-14-5-7-15(8-6-14)11-10(9-12)3-2-4-13-11/h2-4H,5-8H2,1H3
InChIKey
HZIUSLVQWZDMIE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccnc1N1CCN(CC1)C
Isomeric Smiles
c1(N2CCN(CC2)C)c(C#N)cccn1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.44091755
LogD (pH = 7.4)
0.98602927
Log P
1.1612905
Molar Refractivity
60.4149
Polarizability
22.406044
Polar Surface Area
43.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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