[2-[(Z)-morpholin-4-yliminomethyl]-1-benzothiophen-3-yl] 2-bromobenzoate

Formula:C20H17N2O3BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none [2-[(Z)-morpholin-4-yliminomethyl]-1-benzothiophen-3-yl] 2-bromobenzoate is a drug-like molecule.

MolName	[2-[(Z)-morpholin-4-yliminomethyl]-1-benzothiophen-3-yl] 2-bromobenzoate
MolecularFormula	C20H17N2O3BrS
Smiles	O=C(c(cccc1)c1Br)Oc1c(/C=N\N2CCOCC2)sc2c1cccc2
InChI	InChI=1S/C20H17BrN2O3S/c21-16-7-3-1-5-14(16)20(24)26-19-15-6-2-4-8-17(15)27-18(19)13-22-23-9-11-25-12-10-23/h1-8,13H,9-12H2
InChIK	UAKOAQZIZCCDGT-UHFFFAOYSA-N
TotalMolweight	445.336
Molweight	445.336
MonoisotopicMass	444.014324
CLogP	4.5684
CLogS	-5.484
H Acceptors	5
TotalSurfaceArea	296.54
Relative PSA	0.23086
PolarSurfaceArea	79.37
Druglikeness	1.7465
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Symmetricatoms	2
StereoCon

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