(2E)-2-[(2-bromophenyl)methylidene]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one

Formula:C21H19N2O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[(2-bromophenyl)methylidene]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one is a drug-like molecule.

MolName	(2E)-2-[(2-bromophenyl)methylidene]-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
MolecularFormula	C21H19N2O3Br
Smiles	O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Br)C1=O)N1CCCC1
InChI	InChI=1S/C21H19BrN2O3/c22-16-8-2-1-7-15(16)13-19-21(26)24(14-20(25)23-11-5-6-12-23)17-9-3-4-10-18(17)27-19/h1-4,7-10,13H,5-6,11-12,14H2
InChIK	SAIUDDSYQYVBQK-UHFFFAOYSA-N
TotalMolweight	427.297
Molweight	427.297
MonoisotopicMass	426.057904
CLogP	3.7306
CLogS	-4.701
H Acceptors	5
TotalSurfaceArea	284.26
Relative PSA	0.1519
PolarSurfaceArea	49.85
Druglikeness	2.3818
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	2
StereoCon

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