Molecule

ID:84697

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-10(12(14)15-2)8-13-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3
InChIKey
AMFQVMBTZNGVDU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CNCc1ccccc1)C
Isomeric Smiles
O=C(C(CNCc1ccccc1)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1779008
LogD (pH = 7.4)
0.14011924
Log P
1.935471
Molar Refractivity
59.4336
Polarizability
23.666656
Polar Surface Area
38.33
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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