Molecule

ID:80506

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-8-4-2-3-6(8)5-7/h2-4H,5,7H2,1H3
InChIKey
GGCBARJYVAPZJQ-UHFFFAOYSA-N
Canonic Smiles
NCc1cccn1C
Isomeric Smiles
n1(c(ccc1)CN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5908499
LogD (pH = 7.4)
-1.3016739
Log P
0.32257554
Molar Refractivity
34.0644
Polarizability
13.169822
Polar Surface Area
30.95
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
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References
Bioactivity
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