Molecule

ID:35597

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-4-9-7-6-8-10(5-2)11(9)12-3/h6-8,12H,4-5H2,1-3H3
InChIKey
QVNJPMLNHZDCFW-UHFFFAOYSA-N
Canonic Smiles
CNc1c(CC)cccc1CC
Isomeric Smiles
c1(c(cccc1CC)CC)NC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3282926
LogD (pH = 7.4)
3.361563
Log P
3.362004
Molar Refractivity
55.5362
Polarizability
20.567535
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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