Molecule

ID:73333

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
InChIKey
MKARNSWMMBGSHX-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)cc(c1)N
Isomeric Smiles
Nc1cc(cc(c1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0335555
LogD (pH = 7.4)
2.1691248
Log P
2.1711626
Molar Refractivity
40.8408
Polarizability
15.028969
Polar Surface Area
26.02
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
References
Bioactivity
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