Molecule

ID:25285

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-3-13-8-10-14(11-9-13)18-12(2)17(19(21)22)15-6-4-5-7-16(15)20-18/h4-11H,3H2,1-2H3,(H,21,22)
InChIKey
NPNBUHRSRXZKLR-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1nc2ccccc2c(c1C)C(=O)O
Isomeric Smiles
n1c(c(c(c2c1cccc2)C(=O)O)C)c1ccc(cc1)CC
Calculated Properties
JChem
Acid pKa
3.4191341
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1820302
LogD (pH = 7.4)
1.8840841
Log P
5.0950937
Molar Refractivity
86.6831
Polarizability
35.6948
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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