Molecule

ID:67728

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂
Molecular Mass
134.1784
Exact Mass
134.08439833
Charge
0
InChI
InChI=1S/C8H10N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-2,4,9H,3,5-6H2
InChIKey
FPEAARFNXIWCTP-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)nccc2
Isomeric Smiles
n1cccc2CNCCc12
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.60441
LogD (pH = 7.4)
-1.0604682
Log P
0.38363415
Molar Refractivity
39.8809
Polarizability
15.677948
Polar Surface Area
24.92
Rotatable Bonds
0
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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