Molecule

ID:113425

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃
Molecular Mass
173.21444
Exact Mass
173.09529737
Charge
0
InChI
InChI=1S/C10H11N3/c1-7-6-10(13-11)12-9-5-3-2-4-8(7)9/h2-6H,11H2,1H3,(H,12,13)
InChIKey
FLDYBLAUDDQRAB-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(C)c2c(n1)cccc2
Isomeric Smiles
n1c(cc(c2c1cccc2)C)NN
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.80999506
LogD (pH = 7.4)
1.5367244
Log P
2.630422
Molar Refractivity
55.0407
Polarizability
21.324572
Polar Surface Area
50.94
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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