Molecule

ID:91169

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c1-5-7(8-4-11)6(2)10(3)9-5/h1-3H3
InChIKey
LFXTVSHXGKVTQV-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1c(C)nn(c1C)C
Isomeric Smiles
n1c(c(c(n1C)C)N=C=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.64131045
LogD (pH = 7.4)
0.64158946
Log P
0.641593
Molar Refractivity
53.7746
Polarizability
14.780876
Polar Surface Area
47.25
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
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References
Bioactivity
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