Molecule

ID:25318

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-8-9-12(2)15(10-11)18-13(3)17(19(21)22)14-6-4-5-7-16(14)20-18/h4-10H,1-3H3,(H,21,22)
InChIKey
XUCBWSLFLIXZNQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)c1nc2ccccc2c(c1C)C(=O)O)C
Isomeric Smiles
c1(nc2c(c(c1C)C(=O)O)cccc2)c1c(ccc(c1)C)C
Calculated Properties
JChem
Acid pKa
3.3982923
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2507362
LogD (pH = 7.4)
1.9528598
Log P
5.227416
Molar Refractivity
87.1233
Polarizability
35.614143
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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