Molecule

ID:58272

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃O
Molecular Mass
141.17104
Exact Mass
141.09021199
Charge
0
InChI
InChI=1S/C6H11N3O/c1-4(2)6-8-5(3-7)9-10-6/h4H,3,7H2,1-2H3
InChIKey
XGPRUICIGLRGSQ-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(n1)C(C)C
Isomeric Smiles
n1c(onc1CN)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.16276
LogD (pH = 7.4)
0.45146394
Log P
0.78977793
Molar Refractivity
38.3003
Polarizability
14.2784395
Polar Surface Area
64.94
Rotatable Bonds
2
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
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References
Bioactivity
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