Molecule

ID:37063

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O
Molecular Mass
189.21384
Exact Mass
189.09021199
Charge
0
InChI
InChI=1S/C10H11N3O/c11-13-10(14)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5,11H2,(H,13,14)
InChIKey
GYHLCXMCGCVVCG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1c[nH]c2c1cccc2
Isomeric Smiles
c1ccc2[nH]cc(c2c1)CC(=O)NN
Calculated Properties
JChem
Acid pKa
13.085875
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.6045652
LogD (pH = 7.4)
0.6063146
Log P
0.6063378
Molar Refractivity
54.7584
Polarizability
21.858023
Polar Surface Area
70.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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