Molecule

ID:25346

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-11-4-6-14(13(3)8-11)18-10-16(19(21)22)15-9-12(2)5-7-17(15)20-18/h4-10H,1-3H3,(H,21,22)
InChIKey
SDACGHUQBLGBNS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)c1nc2ccc(cc2c(c1)C(=O)O)C
Isomeric Smiles
c1(nc2c(c(c1)C(=O)O)cc(cc2)C)c1c(cc(cc1)C)C
Calculated Properties
JChem
Acid pKa
3.5830228
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4415436
LogD (pH = 7.4)
2.0099735
Log P
5.361823
Molar Refractivity
87.1233
Polarizability
35.612755
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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