(3S)-5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

Formula:C15H12NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (3S)-5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is a drug-like molecule.

MolName	(3S)-5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
MolecularFormula	C15H12NO4Br
Smiles	Cc(cc(cc1[C@]2(CC(c3ccco3)=O)O)Br)c1NC2=O
InChI	InChI=1S/C15H12BrNO4/c1-8-5-9(16)6-10-13(8)17-14(19)15(10,20)7-11(18)12-3-2-4-21-12/h2-6,20H,7H2,1H3,(H,17,19)/t15-/m0/s1
InChIK	KGXSTZZCBMWXET-HNNXBMFYSA-N
TotalMolweight	350.167
Molweight	350.167
MonoisotopicMass	348.99497
CLogP	1.7013
CLogS	-4.319
H Acceptors	5
H Donors	2
TotalSurfaceArea	217.58
Relative PSA	0.29759
PolarSurfaceArea	79.54
Druglikeness	2.0962
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	1
StereoCon	this enantiomer

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