Molecule

ID:25512

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-9-12(2)17-15(10-11)16(19(21)22)13(3)18(20-17)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,21,22)
InChIKey
OTGGVDIKLFZRPO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(C(=O)O)c(c(n2)c1ccccc1)C
Isomeric Smiles
n1c(c(c(c2c1c(cc(c2)C)C)C(=O)O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4516134
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2788446
LogD (pH = 7.4)
1.9602259
Log P
5.166882
Molar Refractivity
87.1233
Polarizability
35.61247
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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