Molecule

ID:64398

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₄O
Molecular Mass
152.15392
Exact Mass
152.0698109
Charge
0
InChI
InChI=1S/C6H8N4O/c11-8-10-4-3-9-2-1-7-6(9)5-10/h1-2H,3-5H2
InChIKey
SDQPBIDYLCHJKC-UHFFFAOYSA-N
Canonic Smiles
O=NN1CCn2c(C1)ncc2
Isomeric Smiles
c12n(ccn2)CCN(C1)N=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.7377781
LogD (pH = 7.4)
-0.24501592
Log P
-0.23006551
Molar Refractivity
39.8726
Polarizability
14.394229
Polar Surface Area
50.49
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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