Molecule

ID:25386

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-3-13-7-9-14(10-8-13)17-11-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-11H,3H2,1-2H3,(H,21,22)
InChIKey
RECUOGALSOTYHL-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1cc(C(=O)O)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)CC)C(=O)O)cccc2C
Calculated Properties
JChem
Acid pKa
3.5888848
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3762875
LogD (pH = 7.4)
1.9423853
Log P
5.2929707
Molar Refractivity
86.6831
Polarizability
35.695576
Polar Surface Area
50.19
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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