Molecule

ID:25294

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅NO₃
Molecular Mass
293.3166
Exact Mass
293.10519335
Charge
0
InChI
InChI=1S/C18H15NO3/c1-2-22-13-9-7-12(8-10-13)17-11-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-11H,2H2,1H3,(H,20,21)
InChIKey
IHEXTMYSORWWOQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)OCC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5744803
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0880933
LogD (pH = 7.4)
0.66461176
Log P
4.0206957
Molar Refractivity
83.2115
Polarizability
34.633144
Polar Surface Area
59.42
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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