Molecule

ID:59699

General Information
Structure
Molecular Formula
C₁₉H₁₅NO₄
Molecular Mass
321.3267
Exact Mass
321.10010797
Charge
0
InChI
InChI=1S/C19H15NO4/c1-23-15-8-10-7-13-17(19(21)22)11-5-3-4-6-14(11)20-18(13)12(10)9-16(15)24-2/h3-6,8-9H,7H2,1-2H3,(H,21,22)
InChIKey
ZEDLSMFUNOJCLH-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(cc1OC)Cc1c2nc2ccccc2c1C(=O)O
Isomeric Smiles
c12c(c(c3c(n1)cccc3)C(=O)O)Cc1c2cc(c(c1)OC)OC
Calculated Properties
JChem
Acid pKa
3.5700932
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.6903502
LogD (pH = 7.4)
0.26799846
Log P
3.6247647
Molar Refractivity
88.6053
Polarizability
36.302628
Polar Surface Area
68.65
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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