Molecule

ID:76064

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey
RIWRFSMVIUAEBX-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1
Isomeric Smiles
N(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6647688
LogD (pH = 7.4)
-0.72088844
Log P
1.5315946
Molar Refractivity
39.306
Polarizability
15.597312
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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