Molecule

ID:24821

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇N
Molecular Mass
175.27008
Exact Mass
175.13609955
Charge
0
InChI
InChI=1S/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKey
SJISCEAZUHNOMD-UHFFFAOYSA-N
Canonic Smiles
NC1CCC(CC1)c1ccccc1
Isomeric Smiles
C1(c2ccccc2)CCC(N)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4333022
LogD (pH = 7.4)
-0.14793228
Log P
2.5946348
Molar Refractivity
55.5766
Polarizability
22.1593
Polar Surface Area
26.02
Rotatable Bonds
1
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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