Molecule

ID:37904

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃O₃
Molecular Mass
193.15948
Exact Mass
193.0487411
Charge
0
InChI
InChI=1S/C8H7N3O3/c9-10-8(12)5-4-7(14-11-5)6-2-1-3-13-6/h1-4H,9H2,(H,10,12)
InChIKey
YAVAKNCPWSSNOV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1noc(c1)c1ccco1
Isomeric Smiles
c1(cc(on1)c1occc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.145371
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.09514643
LogD (pH = 7.4)
-0.09473301
Log P
-0.09472073
Molar Refractivity
48.0951
Polarizability
18.474297
Polar Surface Area
94.29
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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