Molecule

ID:11609

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-3-5-16(14-9-7-13(2)8-10-14)17-12-15-6-4-11-18-15/h3-4,6-11,16-17H,1,5,12H2,2H3
InChIKey
LCKYLXSRRAZZBQ-UHFFFAOYSA-N
Canonic Smiles
C=CCC(c1ccc(cc1)C)NCc1ccco1
Isomeric Smiles
c1(occc1)CNC(c1ccc(cc1)C)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4076748
LogD (pH = 7.4)
3.1419787
Log P
3.9094138
Molar Refractivity
74.9386
Polarizability
29.079203
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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