Molecule
ID:69192
General Information
Molecular Formula
C₆H₈N₂O₂
Molecular Mass
140.13992
Exact Mass
140.05857751
Charge
0
InChI
InChI=1S/C6H8N2O2/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)
InChIKey
PZVLJGKJIMBYNP-UHFFFAOYSA-N
Canonic Smiles
Oc1nc(C)c(c(n1)O)C
Isomeric Smiles
c1(nc(c(c(n1)C)C)O)O
Calculated Properties
JChem
Acid pKa
12.639912
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3606397
LogD (pH = 7.4)
1.3606374
Log P
1.3606399
Molar Refractivity
36.5763
Polarizability
13.350014
Polar Surface Area
66.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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