[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate

Formula:C22H14N5O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate is not a drug-like molecule.

MolName	[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl] (1E)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidothioate
MolecularFormula	C22H14N5O4BrS
Smiles	[O-][N+](c(cc1)ccc1N/N=C(\C(c1ccccc1)=O)/Sc1nnc(-c2cccc(Br)c2)o1)=O
InChI	InChI=1S/C22H14BrN5O4S/c23-16-8-4-7-15(13-16)20-25-27-22(32-20)33-21(19(29)14-5-2-1-3-6-14)26-24-17-9-11-18(12-10-17)28(30)31/h1-13,24H
InChIK	MGLKLLCVVNNSNT-UHFFFAOYSA-N
TotalMolweight	524.354
Molweight	524.354
MonoisotopicMass	522.994986
CLogP	5.1825
CLogS	-7.163
H Acceptors	9
H Donors	1
TotalSurfaceArea	351.72
Relative PSA	0.3411
PolarSurfaceArea	151.5
Druglikeness	-3.8333
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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