Molecule

ID:10875

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₃NO₅
Molecular Mass
347.32092
Exact Mass
347.07937252
Charge
0
InChI
InChI=1S/C20H13NO5/c22-11-5-7-15-17(9-11)26-18-10-12(23)6-8-16(18)21-19(15)13-3-1-2-4-14(13)20(24)25/h1-10,22-23H,(H,24,25)
InChIKey
FOPDVSATCFBKCH-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)Oc1cc(O)ccc1N=C2c1ccccc1C(=O)O
Isomeric Smiles
C1(=Nc2c(Oc3c1ccc(c3)O)cc(cc2)O)c1c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.3848813
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
2.0686178
LogD (pH = 7.4)
0.70882
Log P
4.171851
Molar Refractivity
96.7799
Polarizability
35.592297
Polar Surface Area
99.35
Rotatable Bonds
2
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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