Molecule

ID:16805

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-10-8-12(9-16)11(2)15(10)13-6-4-5-7-14(13)17-3/h4-9H,1-3H3
InChIKey
LJUKIOLDWAYBCI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)c1ccccc1OC)C
Isomeric Smiles
n1(c2c(cccc2)OC)c(c(cc1C)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8887181
LogD (pH = 7.4)
2.8887181
Log P
2.8887181
Molar Refractivity
79.157
Polarizability
26.26332
Polar Surface Area
31.23
Rotatable Bonds
2
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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