C24H17NO5 | Cheminformatics

(4Z)-4-[2-(4-ethoxyphenyl)chromen-4-ylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

Formula:C24H17NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (4Z)-4-[2-(4-ethoxyphenyl)chromen-4-ylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is a drug-like molecule.

MolName(4Z)-4-[2-(4-ethoxyphenyl)chromen-4-ylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
MolecularFormulaC24H17NO5
SmilesCCOc(cc1)ccc1C(Oc1c2cccc1)=C/C2=C1/N=C(c2ccco2)OC1=O
InChIInChI=1S/C24H17NO5/c1-2-27-16-11-9-15(10-12-16)21-14-18(17-6-3-4-7-19(17)29-21)22-24(26)30-23(25-22)20-8-5-13-28-20/h3-14H,2H2,1H3
InChIKKFGWDUXFMDMSPB-UHFFFAOYSA-N
TotalMolweight399.401
Molweight399.401
MonoisotopicMass399.110674
CLogP3.6706
CLogS-5.092
H Acceptors6
TotalSurfaceArea299.84
Relative PSA0.22899
PolarSurfaceArea70.26
Druglikeness-0.4754
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms5
Symmetricatoms2
StereoCon

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