methyl (2S)-2-[[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate

Formula:C19H15O5Br Mutagenic:none Tumorigenic:none Reproductive Effective:none methyl (2S)-2-[[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate is a drug-like molecule.

MolName	methyl (2S)-2-[[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate
MolecularFormula	C19H15O5Br
Smiles	C[C@@H](C(OC)=O)Oc(cc1)cc(O/C2=C/c(cccc3)c3Br)c1C2=O
InChI	InChI=1S/C19H15BrO5/c1-11(19(22)23-2)24-13-7-8-14-16(10-13)25-17(18(14)21)9-12-5-3-4-6-15(12)20/h3-11H,1-2H3/t11-/m0/s1
InChIK	XLVODEIZSYWTTH-NSHDSACASA-N
TotalMolweight	403.227
Molweight	403.227
MonoisotopicMass	402.010286
CLogP	3.891
CLogS	-5.275
H Acceptors	5
TotalSurfaceArea	265.38
Relative PSA	0.21132
PolarSurfaceArea	61.83
Druglikeness	-5.2343
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
StereoCon	this enantiomer

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1 - methyl (2S)-2-[[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate | 2 - methyl (2S)-2-[[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]propanoate

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