Molecule

ID:35089

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄O₂
Molecular Mass
192.17472
Exact Mass
192.06472552
Charge
0
InChI
InChI=1S/C8H8N4O2/c9-10-8(13)6-4-5(11-12-6)7-2-1-3-14-7/h1-4H,9H2,(H,10,13)(H,11,12)
InChIKey
WDPPKVUTTXCXMM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1[nH]nc(c1)c1ccco1
Isomeric Smiles
c1(cc(n[nH]1)c1occc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
8.496275
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.15634592
LogD (pH = 7.4)
-0.18771377
Log P
-0.15508214
Molar Refractivity
50.3405
Polarizability
19.253351
Polar Surface Area
96.94
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
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Molecule Details
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References
Bioactivity
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