Molecule

ID:18541

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(9-14)7-11(12)8-13(2)3/h5-7,9H,4,8H2,1-3H3
InChIKey
HDDOOOGDGTZSAO-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1CN(C)C)C=O
Isomeric Smiles
c1(c(ccc(c1)C=O)OCC)CN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.22892916
LogD (pH = 7.4)
1.6526719
Log P
1.8262817
Molar Refractivity
62.3965
Polarizability
23.627453
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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