Molecule

ID:114652

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₄
Molecular Mass
190.24496
Exact Mass
190.12184647
Charge
0
InChI
InChI=1S/C10H14N4/c1-7(2)14-9-6-4-3-5-8(9)12-10(14)13-11/h3-7H,11H2,1-2H3,(H,12,13)
InChIKey
RNQDNDOAQJCNLI-UHFFFAOYSA-N
Canonic Smiles
NNc1nc2c(n1C(C)C)cccc2
Isomeric Smiles
c1(n(c2c(n1)cccc2)C(C)C)NN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5955259
LogD (pH = 7.4)
2.3041537
Log P
2.3324556
Molar Refractivity
58.2126
Polarizability
22.671358
Polar Surface Area
55.87
Rotatable Bonds
2
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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