Molecule

ID:50156

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c1-10-4-2-3-5-12(10)8-11-6-7-13-9-11/h2-5,11,13H,6-9H2,1H3
InChIKey
JJELETAWVRDDPP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1CC1CNCC1
Isomeric Smiles
c1(CC2CNCC2)c(C)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5707088
LogD (pH = 7.4)
-0.45904094
Log P
2.6696858
Molar Refractivity
56.4432
Polarizability
22.0783
Polar Surface Area
12.03
Rotatable Bonds
2
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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