Molecule

ID:19126

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃
Molecular Mass
97.11848
Exact Mass
97.06399724
Charge
0
InChI
InChI=1S/C4H7N3/c1-7-3-2-4(5)6-7/h2-3H,1H3,(H2,5,6)
InChIKey
MOGQNVSKBCVIPW-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc(n1)N
Isomeric Smiles
n1c(ccn1C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.15947428
LogD (pH = 7.4)
0.16654654
Log P
0.16663745
Molar Refractivity
39.9753
Polarizability
10.034958
Polar Surface Area
43.84
Rotatable Bonds
0
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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