Molecule
ID:123828
General Information
Molecular Formula
C₁₅H₁₇NO₂
Molecular Mass
243.30098
Exact Mass
243.12592879
Charge
0
InChI
InChI=1S/C15H17NO2/c1-10-11(2)16(12(3)15(10)9-17)13-5-7-14(18-4)8-6-13/h5-9H,1-4H3
InChIKey
HCFUDILGLSQEPI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)n1c(C)c(c(c1C)C=O)C
Isomeric Smiles
n1(c(c(c(c1C)C)C=O)C)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4808
LogD (pH = 7.4)
2.4808
Log P
2.4808
Molar Refractivity
84.1982
Polarizability
28.021479
Polar Surface Area
31.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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