Molecule

ID:25508

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-7-9-14(10-8-11)18-13(3)16(19(21)22)15-6-4-5-12(2)17(15)20-18/h4-10H,1-3H3,(H,21,22)
InChIKey
UVCGUUPBIALSIL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1nc2c(C)cccc2c(c1C)C(=O)O
Isomeric Smiles
n1c(c(c(c2c1c(ccc2)C)C(=O)O)C)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.434295
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.266609
LogD (pH = 7.4)
1.9569858
Log P
5.1689644
Molar Refractivity
87.1233
Polarizability
35.613056
Polar Surface Area
50.19
Rotatable Bonds
2
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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