Molecule
ID:114794
General Information
Molecular Formula
C₆H₆N₄O
Molecular Mass
150.13804
Exact Mass
150.05416083
Charge
0
InChI
InChI=1S/C6H6N4O/c1-10-3-9-4-5(10)7-2-8-6(4)11/h2-3H,1H3,(H,7,8,11)
InChIKey
PESGUQRDJASXOR-UHFFFAOYSA-N
Canonic Smiles
Oc1ncnc2c1ncn2C
Isomeric Smiles
c12ncn(c1ncnc2O)C
Calculated Properties
JChem
Acid pKa
11.721271
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.2180211
LogD (pH = 7.4)
0.21800351
Log P
0.21802397
Molar Refractivity
38.7765
Polarizability
14.612089
Polar Surface Area
63.83
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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