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

Formula:C16H12NO4Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-bromo-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one is a drug-like molecule.

MolName	5-bromo-3-[(E)-4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxy-1H-indol-2-one
MolecularFormula	C16H12NO4Br
Smiles	OC(CC(/C=C/c1ccco1)=O)(c(cc(cc1)Br)c1N1)C1=O
InChI	InChI=1S/C16H12BrNO4/c17-10-3-6-14-13(8-10)16(21,15(20)18-14)9-11(19)4-5-12-2-1-7-22-12/h1-8,21H,9H2,(H,18,20)/t16-/m0/s1
InChIK	ZUEDAGBPQYPQOZ-INIZCTEOSA-N
TotalMolweight	362.178
Molweight	362.178
MonoisotopicMass	360.99497
CLogP	1.9782
CLogS	-4.121
H Acceptors	5
H Donors	2
TotalSurfaceArea	231.82
Relative PSA	0.27931
PolarSurfaceArea	79.54
Druglikeness	2.4268
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
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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