Molecule

ID:73594

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂N₂
Molecular Mass
148.20498
Exact Mass
148.10004839
Charge
0
InChI
InChI=1S/C9H12N2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-5,10-11H,3,6-7H2
InChIKey
WFDUOXJKEHADRT-UHFFFAOYSA-N
Canonic Smiles
C1CNc2c(NC1)cccc2
Isomeric Smiles
N1c2ccccc2NCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.528095
LogD (pH = 7.4)
0.80232865
Log P
0.80723685
Molar Refractivity
49.342
Polarizability
17.413542
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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