Molecule

ID:50379

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-6-3-2-4-7(5-8)9-6/h2-4H,5,8H2,1H3
InChIKey
HXFYXLLVIVSPLT-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(n1)C
Isomeric Smiles
n1c(CN)cccc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6541448
LogD (pH = 7.4)
-1.0896844
Log P
0.094183885
Molar Refractivity
36.4438
Polarizability
14.571964
Polar Surface Area
38.91
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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