(5Z)-2-amino-5-[[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one

Formula:C17H12N3O4BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none (5Z)-2-amino-5-[[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-2-amino-5-[[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C17H12N3O4BrS
Smiles	NC(S/C1=C\c(cc(cc2)Br)c2OCc(cccc2)c2[N+]([O-])=O)=NC1=O
InChI	InChI=1S/C17H12BrN3O4S/c18-12-5-6-14(11(7-12)8-15-16(22)20-17(19)26-15)25-9-10-3-1-2-4-13(10)21(23)24/h1-8H,9H2,(H2,19,20,22)
InChIK	RSEDZQUXRWWWEC-UHFFFAOYSA-N
TotalMolweight	434.269
Molweight	434.269
MonoisotopicMass	432.973188
CLogP	2.0907
CLogS	-5.924
H Acceptors	7
H Donors	1
TotalSurfaceArea	277.02
Relative PSA	0.35279
PolarSurfaceArea	135.8
Druglikeness	-4.7995
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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