Molecule

ID:79396

General Information
Structure
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-7-6-10(13-11)8-4-2-3-5-9(8)12-7/h2-6H,11H2,1H3,(H,12,13)
InChIKey
LYPXSDQQZREXLC-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(C)nc2c1cccc2
Isomeric Smiles
n1c(cc(c2c1cccc2)NN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.37334603
LogD (pH = 7.4)
1.5355505
Log P
1.6539133
Molar Refractivity
54.2775
Polarizability
21.323586
Polar Surface Area
50.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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