Molecule

ID:103403

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂
Molecular Mass
94.11454
Exact Mass
94.0530982
Charge
0
InChI
InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey
CAWHJQAVHZEVTJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cnccn1
Isomeric Smiles
Cc1cnccn1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.33
LogD (pH = 5.5)
-0.33
Log P
-0.33
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
1.42
Polar Surface Area
25.78
Polarizability
9.73
Molar Refractivity
26.34
LOG S
0.87
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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