Molecule

ID:35824

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃N
Molecular Mass
193.32842
Exact Mass
193.18304974
Charge
0
InChI
InChI=1S/C13H23N/c1-9(14)5-13-6-10-2-11(7-13)4-12(3-10)8-13/h9-12H,2-8,14H2,1H3
InChIKey
IZRZEBNCIWGCDK-UHFFFAOYSA-N
Canonic Smiles
CC(CC12CC3CC(C2)CC(C1)C3)N
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)CC(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.5217852
LogD (pH = 7.4)
-0.21740937
Log P
2.505667
Molar Refractivity
59.2771
Polarizability
24.043682
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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