Molecule

ID:92806

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c1-6-4-7(2)8(3)9-5-6/h4-5H,1-3H3
InChIKey
GFYHSKONPJXCDE-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)C)C
Isomeric Smiles
n1c(c(cc(c1)C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8715052
LogD (pH = 7.4)
1.8352952
Log P
1.9137863
Molar Refractivity
38.575
Polarizability
14.742045
Polar Surface Area
12.89
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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