Molecule

ID:44140

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₄O
Molecular Mass
152.15392
Exact Mass
152.0698109
Charge
0
InChI
InChI=1S/C6H8N4O/c7-5-3-9-2-1-4(5)6(11)10-8/h1-3H,7-8H2,(H,10,11)
InChIKey
YEFPNWUYEOCTIE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccncc1N
Isomeric Smiles
c1(C(=O)NN)c(N)cncc1
Calculated Properties
JChem
Acid pKa
14.020043
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.87404156
LogD (pH = 7.4)
-0.8692495
Log P
-0.86918795
Molar Refractivity
42.164
Polarizability
14.871612
Polar Surface Area
94.03
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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