Molecule

ID:52306

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3
InChIKey
IBVGSPOHLFKLHM-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)CN
Isomeric Smiles
NCc1ccc(cc1)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.046211172
LogD (pH = 7.4)
0.8555981
Log P
2.9461417
Molar Refractivity
53.3756
Polarizability
21.05436
Polar Surface Area
26.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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