Molecule

ID:84568

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-12-10-14-8-5-9-20-17(14)15(11-12)18(21)16(19(20)22)13-6-3-2-4-7-13/h2-4,6-7,10-11,21H,5,8-9H2,1H3
InChIKey
HTMNAMCJEBWORS-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2CCCn3c2c(c1)c(O)c(c3=O)c1ccccc1
Isomeric Smiles
n12c(=O)c(c(c3c1c(cc(c3)C)CCC2)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.702447
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3709152
LogD (pH = 7.4)
3.1983285
Log P
3.373628
Molar Refractivity
87.6913
Polarizability
32.984146
Polar Surface Area
40.54
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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