Molecule

ID:20713

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-2-8-15-14(6-1)7-3-9-16(15)18-12-13-5-4-10-17-11-13/h1-3,6-9,13,17H,4-5,10-12H2
InChIKey
LWERMZWBMPYHNO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COc1cccc2c1cccc2
Isomeric Smiles
c12c(OCC3CNCCC3)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.27092022
LogD (pH = 7.4)
0.3866671
Log P
2.950967
Molar Refractivity
73.847
Polarizability
30.464695
Polar Surface Area
21.26
Rotatable Bonds
3
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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