Molecule

ID:75364

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-9(2)13-7-10-8-14-11-5-3-4-6-12(11)15-10/h3-6,9-10,13H,7-8H2,1-2H3
InChIKey
YWVKUINDDXVDHE-UHFFFAOYSA-N
Canonic Smiles
CC(NCC1COc2c(O1)cccc2)C
Isomeric Smiles
O1c2ccccc2OC(C1)CNC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1974213
LogD (pH = 7.4)
-0.008419728
Log P
1.955125
Molar Refractivity
58.5774
Polarizability
23.528175
Polar Surface Area
30.49
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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