Molecule

ID:16246

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₄O
Molecular Mass
152.15392
Exact Mass
152.0698109
Charge
0
InChI
InChI=1S/C6H8N4O/c7-5-3-4(1-2-9-5)6(11)10-8/h1-3H,8H2,(H2,7,9)(H,10,11)
InChIKey
JWUWTBDKCYJSLE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccnc(c1)N
Isomeric Smiles
c1cnc(cc1C(=O)NN)N
Calculated Properties
JChem
Acid pKa
13.789466
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.0148975
LogD (pH = 7.4)
-0.9259986
Log P
-0.9247304
Molar Refractivity
42.4775
Polarizability
14.870209
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
No Data Available
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Molecule Details
References
Bioactivity
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