Molecule

ID:36098

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O
Molecular Mass
203.24042
Exact Mass
203.10586205
Charge
0
InChI
InChI=1S/C11H13N3O/c1-7-3-4-9-8(5-7)6-10(14(9)2)11(15)13-12/h3-6H,12H2,1-2H3,(H,13,15)
InChIKey
RFFZCOWSYPJOJM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc2c(n1C)ccc(c2)C
Isomeric Smiles
n1(c(cc2c1ccc(c2)C)C(=O)NN)C
Calculated Properties
JChem
Acid pKa
15.426443
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.2822506
LogD (pH = 7.4)
1.2832581
Log P
1.283271
Molar Refractivity
60.5224
Polarizability
23.327467
Polar Surface Area
60.05
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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