Molecule

ID:25384

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-7-8-14(9-13(11)3)17-10-16(19(21)22)15-6-4-5-12(2)18(15)20-17/h4-10H,1-3H3,(H,21,22)
InChIKey
GLZQMZIZJACQKF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1C)c1cc(C(=O)O)c2c(n1)c(C)ccc2
Isomeric Smiles
n1c2c(c(cc1c1cc(c(cc1)C)C)C(=O)O)cccc2C
Calculated Properties
JChem
Acid pKa
3.5890138
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4451313
LogD (pH = 7.4)
2.0112355
Log P
5.361823
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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