Molecule

ID:79467

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N
Molecular Mass
191.31254
Exact Mass
191.16739968
Charge
0
InChI
InChI=1S/C13H21N/c1-12(2,3)10-8-7-9-11(14-10)13(4,5)6/h7-9H,1-6H3
InChIKey
UWKQJZCTQGMHKD-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(n1)C(C)(C)C)(C)C
Isomeric Smiles
n1c(cccc1C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3261676
LogD (pH = 7.4)
4.612134
Log P
4.617387
Molar Refractivity
60.4889
Polarizability
24.052975
Polar Surface Area
12.89
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
Molecule Details
References
Bioactivity
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