Molecule

ID:17521

General Information
Structure
Molecular Formula
C₅H₁₀N₄
Molecular Mass
126.1597
Exact Mass
126.09054634
Charge
0
InChI
InChI=1S/C5H10N4/c1-5(2-6)9-4-7-3-8-9/h3-5H,2,6H2,1H3
InChIKey
ZDGKUKFHKBGSDZ-UHFFFAOYSA-N
Canonic Smiles
CC(n1cncn1)CN
Isomeric Smiles
n1(C(CN)C)cncn1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.668673
LogD (pH = 7.4)
-2.869875
Log P
-0.66582257
Molar Refractivity
46.5041
Polarizability
13.2339
Polar Surface Area
56.73
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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