Molecule

ID:41442

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃
Molecular Mass
97.11848
Exact Mass
97.06399724
Charge
0
InChI
InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
InChIKey
JESRNIJXVIFVOV-UHFFFAOYSA-N
Canonic Smiles
Cn1nccc1N
Isomeric Smiles
c1(n(ncc1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.34256616
LogD (pH = 7.4)
-0.33858013
Log P
-0.33852908
Molar Refractivity
38.9151
Polarizability
10.040649
Polar Surface Area
43.84
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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