Molecule

ID:13091

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-13(2)11-16(14-7-4-3-5-8-14)17-12-15-9-6-10-18-15/h3-10,16-17H,1,11-12H2,2H3
InChIKey
HDQGWBOCKCPGSN-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CC(c1ccccc1)NCc1ccco1
Isomeric Smiles
c1cc(oc1)CNC(CC(=C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1305077
LogD (pH = 7.4)
2.8646922
Log P
3.6393538
Molar Refractivity
74.1794
Polarizability
29.159813
Polar Surface Area
25.17
Rotatable Bonds
6
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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