Molecule
ID:39843
General Information
Molecular Formula
C₆H₈N₄O
Molecular Mass
152.15392
Exact Mass
152.0698109
Charge
0
InChI
InChI=1S/C6H8N4O/c7-5-2-1-4(3-9-5)6(11)10-8/h1-3H,8H2,(H2,7,9)(H,10,11)
InChIKey
MUTYGKWOSMNYBG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(nc1)N
Isomeric Smiles
c1(C(=O)NN)cnc(cc1)N
Calculated Properties
JChem
Acid pKa
14.105808
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.9339067
LogD (pH = 7.4)
-0.9248471
Log P
-0.9247304
Molar Refractivity
42.4775
Polarizability
14.869762
Polar Surface Area
94.03
Rotatable Bonds
1
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
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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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