Molecule

ID:6172

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₃
Molecular Mass
309.35906
Exact Mass
309.13649347
Charge
0
InChI
InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+
InChIKey
FTXJWRRYLLRFMG-MDZDMXLPSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)/C=C/c1ccccc1)CCCC(=O)O
Isomeric Smiles
c1ccccc1/C=C/c1ccc(cc1)NC(=O)CCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.79
LogD (pH = 5.5)
2.51
Log P
3.82
Rotatable Bonds
7
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.21
Polar Surface Area
66.40
Polarizability
34.42
Molar Refractivity
91.87
LOG S
-4.47
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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