Molecule

ID:85779

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8H,3-5,12H2,1-2H3
InChIKey
JTXOXRXZCAMPHL-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(c(c1)C)N
Isomeric Smiles
Nc1ccc(cc1C)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.436008
LogD (pH = 7.4)
3.5039294
Log P
3.5048687
Molar Refractivity
54.6438
Polarizability
20.567965
Polar Surface Area
26.02
Rotatable Bonds
3
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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