4,6-dichloro-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one

Formula:C16H11NO4Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 4,6-dichloro-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one is a drug-like molecule.

MolName	4,6-dichloro-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one
MolecularFormula	C16H11NO4Cl2
Smiles	OC(CC(/C=C/c1ccco1)=O)(c(c(N1)cc(Cl)c2)c2Cl)C1=O
InChI	InChI=1S/C16H11Cl2NO4/c17-9-6-12(18)14-13(7-9)19-15(21)16(14,22)8-10(20)3-4-11-2-1-5-23-11/h1-7,22H,8H2,(H,19,21)/t16-/m0/s1
InChIK	IQDXFJIPIURZCG-INIZCTEOSA-N
TotalMolweight	352.172
Molweight	352.172
MonoisotopicMass	351.006513
CLogP	2.465
CLogS	-4.759
H Acceptors	5
H Donors	2
TotalSurfaceArea	244.03
Relative PSA	0.26534
PolarSurfaceArea	79.54
Druglikeness	4.2892
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
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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