C23H18O4 | Cheminformatics

(2E)-2-[(4-methoxyphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one

Formula:C23H18O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(4-methoxyphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one is a drug-like molecule.

MolName(2E)-2-[(4-methoxyphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
MolecularFormulaC23H18O4
SmilesCOc1ccc(/C=C2/Oc(cc(cc3)OCc4ccccc4)c3C2=O)cc1
InChIInChI=1S/C23H18O4/c1-25-18-9-7-16(8-10-18)13-22-23(24)20-12-11-19(14-21(20)27-22)26-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3/b22-13+
InChIKYYCLMHUUFCLMSV-LPYMAVHISA-N
TotalMolweight358.392
Molweight358.392
MonoisotopicMass358.12051
CLogP4.5967
CLogS-5.501
H Acceptors4
TotalSurfaceArea277.76
Relative PSA0.15495
PolarSurfaceArea44.76
Druglikeness-0.0056962
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms27
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms4
StereoCon

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