Molecule

ID:71123

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₃
Molecular Mass
308.33124
Exact Mass
308.11609238
Charge
0
InChI
InChI=1S/C18H16N2O3/c1-11-3-8-14-15(9-11)20-18(22)16(19-14)10-17(21)12-4-6-13(23-2)7-5-12/h3-10,19H,1-2H3,(H,20,22)/b16-10+
InChIKey
FWMNPIJJQVTIAW-MHWRWJLKSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=c\1/[nH]c2ccc(cc2[nH]c1=O)C
Isomeric Smiles
[nH]1c(=O)/c(=C\C(=O)c2ccc(cc2)OC)/[nH]c2ccc(cc12)C
Calculated Properties
JChem
Acid pKa
10.95712
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4457736
LogD (pH = 7.4)
2.4456608
Log P
2.445775
Molar Refractivity
92.1057
Polarizability
32.983536
Polar Surface Area
67.43
Rotatable Bonds
3
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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