Molecule

ID:13174

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO
Molecular Mass
243.34404
Exact Mass
243.1623143
Charge
0
InChI
InChI=1S/C16H21NO/c1-16(2,3)14-8-6-13(7-9-14)11-17-12-15-5-4-10-18-15/h4-10,17H,11-12H2,1-3H3
InChIKey
YDZHFZGKDAAJJE-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNCc1ccco1)(C)C
Isomeric Smiles
c1cc(oc1)CNCc1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5347635
LogD (pH = 7.4)
3.2572896
Log P
3.8613706
Molar Refractivity
74.9754
Polarizability
29.311222
Polar Surface Area
25.17
Rotatable Bonds
5
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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