Molecule

ID:16741

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)
InChIKey
FNSSATCDUXTALE-UHFFFAOYSA-N
Canonic Smiles
Oc1nc(C)c(c(n1)O)N
Isomeric Smiles
c1(c(nc(nc1O)O)C)N
Calculated Properties
JChem
Acid pKa
13.075309
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.018292313
LogD (pH = 7.4)
0.018291669
Log P
0.01829258
Molar Refractivity
36.2355
Polarizability
12.773624
Polar Surface Area
92.26
Rotatable Bonds
0
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
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References
Bioactivity
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