Molecule

ID:92394

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKey
OJGMBLNIHDZDGS-UHFFFAOYSA-N
Canonic Smiles
CCNc1ccccc1
Isomeric Smiles
N(c1ccccc1)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7028892
LogD (pH = 7.4)
1.8014184
Log P
1.8028319
Molar Refractivity
41.0004
Polarizability
15.190914
Polar Surface Area
12.03
Rotatable Bonds
2
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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