Molecule

ID:87934

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N
Molecular Mass
191.31254
Exact Mass
191.16739968
Charge
0
InChI
InChI=1S/C13H21N/c1-11(2)14(12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKey
GOTQULLXGZGQMK-UHFFFAOYSA-N
Canonic Smiles
CC(N(C(C)C)Cc1ccccc1)C
Isomeric Smiles
N(Cc1ccccc1)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.007456041
LogD (pH = 7.4)
0.8153019
Log P
3.4614086
Molar Refractivity
62.9355
Polarizability
24.831694
Polar Surface Area
3.24
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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