Molecule

ID:25420

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-8-13(3)18-15(9-11)16(19(21)22)10-17(20-18)14-7-5-4-6-12(14)2/h4-10H,1-3H3,(H,21,22)
InChIKey
ISRKMRYQBAUEGW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1ccccc1C)C(=O)O
Isomeric Smiles
n1c2c(c(cc1c1c(C)cccc1)C(=O)O)cc(cc2C)C
Calculated Properties
JChem
Acid pKa
3.5978649
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.457438
LogD (pH = 7.4)
2.0155706
Log P
5.361823
Molar Refractivity
87.1233
Polarizability
35.61351
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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