Molecule

ID:24563

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁N
Molecular Mass
227.34464
Exact Mass
227.16739968
Charge
0
InChI
InChI=1S/C16H21N/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10,17H2
InChIKey
JMBDVVUBXKXCIU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(c3ccc(N)cc3)CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4372587
LogD (pH = 7.4)
3.4922135
Log P
3.4929616
Molar Refractivity
71.4665
Polarizability
27.654892
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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