Molecule

ID:57543

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₃NO₄
Molecular Mass
307.30012
Exact Mass
307.0844579
Charge
0
InChI
InChI=1S/C18H13NO4/c20-18(21)13-10-11-19-17(12-13)23-16-8-6-15(7-9-16)22-14-4-2-1-3-5-14/h1-12H,(H,20,21)
InChIKey
ACQIQSZZTAQCPJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccnc(c1)Oc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
C(=O)(c1cc(ncc1)Oc1ccc(Oc2ccccc2)cc1)O
Calculated Properties
JChem
Acid pKa
3.5683506
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0821726
LogD (pH = 7.4)
0.6543164
Log P
4.0081882
Molar Refractivity
83.9524
Polarizability
32.41379
Polar Surface Area
68.65
Rotatable Bonds
5
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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