Molecule

ID:21409

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-2-4-9-8(3-1)7-10-5-6-11-9/h1-4,10-11H,5-7H2
InChIKey
MLXBHOCKBUILHN-UHFFFAOYSA-N
Canonic Smiles
C1CNc2c(CN1)cccc2
Isomeric Smiles
c1ccc2c(c1)CNCCN2
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.2757678
LogD (pH = 7.4)
-0.94511074
Log P
0.83284783
Molar Refractivity
47.5308
Polarizability
17.80829
Polar Surface Area
24.06
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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