Molecule

ID:75128

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁N
Molecular Mass
169.22244
Exact Mass
169.08914936
Charge
0
InChI
InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2
InChIKey
TWBPWBPGNQWFSJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1c1ccccc1
Isomeric Smiles
Nc1ccccc1c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7753317
LogD (pH = 7.4)
2.7913373
Log P
2.7915452
Molar Refractivity
55.8946
Polarizability
22.600311
Polar Surface Area
26.02
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
References
Bioactivity
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