3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one

Formula:C16H13NO4 Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one is a drug-like molecule.

MolName	3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one
MolecularFormula	C16H13NO4
Smiles	OC(CC(/C=C/c1ccco1)=O)(c(cccc1)c1N1)C1=O
InChI	InChI=1S/C16H13NO4/c18-11(7-8-12-4-3-9-21-12)10-16(20)13-5-1-2-6-14(13)17-15(16)19/h1-9,20H,10H2,(H,17,19)/t16-/m0/s1
InChIK	INXITDUVMMOWQZ-INIZCTEOSA-N
TotalMolweight	283.282
Molweight	283.282
MonoisotopicMass	283.084459
CLogP	1.253
CLogS	-3.287
H Acceptors	5
H Donors	2
TotalSurfaceArea	213.19
Relative PSA	0.30372
PolarSurfaceArea	79.54
Druglikeness	4.2168
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
StereoCon	racemate

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