Molecule

ID:40977

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃O₂
Molecular Mass
179.17596
Exact Mass
179.06947654
Charge
0
InChI
InChI=1S/C8H9N3O2/c9-11-8(13)7(12)10-6-4-2-1-3-5-6/h1-5H,9H2,(H,10,12)(H,11,13)
InChIKey
APJTZBUPLMNLOG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)Nc1ccccc1
Isomeric Smiles
C(=O)(C(=O)Nc1ccccc1)NN
Calculated Properties
JChem
Acid pKa
9.8706875
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.06687512
LogD (pH = 7.4)
0.06582516
Log P
0.06713202
Molar Refractivity
49.0222
Polarizability
17.872456
Polar Surface Area
84.22
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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