Molecule

ID:35242

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁N
Molecular Mass
179.30184
Exact Mass
179.16739968
Charge
0
InChI
InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2
InChIKey
SNJMEUDNDRSJAS-UHFFFAOYSA-N
Canonic Smiles
NCCC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9345484
LogD (pH = 7.4)
-0.504761
Log P
2.089092
Molar Refractivity
54.8583
Polarizability
22.19729
Polar Surface Area
26.02
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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