Molecule

ID:25421

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-5-4-6-14(8-11)17-10-16(19(21)22)15-9-12(2)7-13(3)18(15)20-17/h4-10H,1-3H3,(H,21,22)
InChIKey
JLKVATDVYPVUIT-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1cc(C(=O)O)c2c(n1)c(C)cc(c2)C
Isomeric Smiles
n1c2c(c(cc1c1cc(ccc1)C)C(=O)O)cc(cc2C)C
Calculated Properties
JChem
Acid pKa
3.602896
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4574966
LogD (pH = 7.4)
2.0156126
Log P
5.361823
Molar Refractivity
87.1233
Polarizability
35.613625
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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