Molecule

ID:15461

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-4-15-12-6-5-10(8-13(2)3)7-11(12)9-14/h5-7,9H,4,8H2,1-3H3
InChIKey
RFYIHQCJXTXTEV-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1C=O)CN(C)C
Isomeric Smiles
c1(c(ccc(c1)CN(C)C)OCC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.45512998
LogD (pH = 7.4)
1.2766998
Log P
1.8262817
Molar Refractivity
62.3965
Polarizability
23.629778
Polar Surface Area
29.54
Rotatable Bonds
5
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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