Molecule

ID:21184

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-2-6-14-11-16(9-8-13(14)5-1)18-12-15-7-3-4-10-17-15/h1-2,5-6,8-9,11,15,17H,3-4,7,10,12H2
InChIKey
PEEWGYRFMHANGE-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)COc1ccc2c(c1)cccc2
Isomeric Smiles
N1C(COc2cc3c(cc2)cccc3)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16975035
LogD (pH = 7.4)
1.2192124
Log P
3.3507812
Molar Refractivity
73.508
Polarizability
30.460651
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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