Molecule

ID:20116

General Information
Structure
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c13-10-4-6-11(7-5-10)15-9-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9,13H2
InChIKey
FLYSJIZWKVCEPU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCC1CCCCO1
Isomeric Smiles
O1C(COc2ccc(N)cc2)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7246133
LogD (pH = 7.4)
1.8479799
Log P
1.8498063
Molar Refractivity
60.0773
Polarizability
23.154774
Polar Surface Area
44.48
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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