Molecule

ID:58276

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃
Molecular Mass
97.11848
Exact Mass
97.06399724
Charge
0
InChI
InChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h1-2H3,(H,5,6,7)
InChIKey
XYYXDARQOHWBPO-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]nc(n1)C
Isomeric Smiles
n1c(n[nH]c1C)C
Calculated Properties
JChem
Acid pKa
11.688526
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8650875
LogD (pH = 7.4)
-0.85963655
Log P
-0.8595464
Molar Refractivity
28.1104
Polarizability
9.80852
Polar Surface Area
41.57
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
References
Bioactivity
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