Molecule

ID:74720

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄
Molecular Mass
202.25566
Exact Mass
202.12184647
Charge
0
InChI
InChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2
InChIKey
AWTOGESBXYCVMV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1)N1CCNCCC1
Isomeric Smiles
n1c(ccc(c1)C#N)N1CCNCCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.345052
LogD (pH = 7.4)
-1.3091073
Log P
0.83820236
Molar Refractivity
59.9856
Polarizability
22.404125
Polar Surface Area
51.95
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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