Molecule

ID:91695

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂
Molecular Mass
96.13042
Exact Mass
96.06874827
Charge
0
InChI
InChI=1S/C5H8N2/c1-7(2)5-3-4-6/h3,5H,1-2H3
InChIKey
ZKKBIZXAEDFPNL-UHFFFAOYSA-N
Canonic Smiles
N#C/C=C/N(C)C
Isomeric Smiles
N(C)(C)/C=C/C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.28689238
LogD (pH = 7.4)
0.34480712
Log P
0.34559777
Molar Refractivity
29.9752
Polarizability
10.674492
Polar Surface Area
27.03
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
References
Bioactivity
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