Molecule

ID:25362

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₄
Molecular Mass
323.34258
Exact Mass
323.11575803
Charge
0
InChI
InChI=1S/C19H17NO4/c1-11-4-6-15-13(8-11)14(19(21)22)10-16(20-15)12-5-7-17(23-2)18(9-12)24-3/h4-10H,1-3H3,(H,21,22)
InChIKey
YOMZOJBFPXHVHU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1nc2ccc(cc2c(c1)C(=O)O)C
Isomeric Smiles
c1(c2c(nc(c1)c1cc(c(cc1)OC)OC)ccc(c2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5875988
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.0993285
LogD (pH = 7.4)
0.6677962
Log P
4.019638
Molar Refractivity
89.9673
Polarizability
37.04045
Polar Surface Area
68.65
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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