Molecule

ID:15538

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃O₂
Molecular Mass
165.14938
Exact Mass
165.05382648
Charge
0
InChI
InChI=1S/C7H7N3O2/c11-5-3-9-7(12)6-4(10-5)1-2-8-6/h1-2,8H,3H2,(H,9,12)(H,10,11)
InChIKey
NZZVAOABZOBCTC-UHFFFAOYSA-N
Canonic Smiles
O=C1CNC(=O)c2c(N1)cc[nH]2
Isomeric Smiles
c12c(cc[nH]1)NC(=O)CNC2=O
Calculated Properties
JChem
Acid pKa
11.596866
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-0.36351353
LogD (pH = 7.4)
-0.36353943
Log P
-0.3635132
Molar Refractivity
42.9733
Polarizability
15.128183
Polar Surface Area
73.99
Rotatable Bonds
0
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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