Molecule

ID:70031

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂
Molecular Mass
96.13042
Exact Mass
96.06874827
Charge
0
InChI
InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
InChIKey
IWDFHWZHHOSSGR-UHFFFAOYSA-N
Canonic Smiles
CCn1cncc1
Isomeric Smiles
c1nccn1CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.097860254
LogD (pH = 7.4)
0.36626148
Log P
0.43525982
Molar Refractivity
28.6581
Polarizability
10.74117
Polar Surface Area
17.82
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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