Molecule

ID:83133

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄
Molecular Mass
202.25566
Exact Mass
202.12184647
Charge
0
InChI
InChI=1S/C11H14N4/c12-9-10-3-1-5-14-11(10)15-7-2-4-13-6-8-15/h1,3,5,13H,2,4,6-8H2
InChIKey
KQOHMUWBQXSUAK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccnc1N1CCNCCC1
Isomeric Smiles
N1(c2ncccc2C#N)CCCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3393025
LogD (pH = 7.4)
-1.2691926
Log P
0.83820236
Molar Refractivity
59.9856
Polarizability
22.406084
Polar Surface Area
51.95
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
No Data Available
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Molecule Details
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References
Bioactivity
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