5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C19H15N2O4BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	5-[[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C19H15N2O4BrS2
Smiles	CCN(C(C(S1)=Cc(cc2)cc(Br)c2OCc(cc2)ccc2[N+]([O-])=O)=O)C1=S
InChI	InChI=1S/C19H15BrN2O4S2/c1-2-21-18(23)17(28-19(21)27)10-13-5-8-16(15(20)9-13)26-11-12-3-6-14(7-4-12)22(24)25/h3-10H,2,11H2,1H3
InChIK	JXQGIULODACFPY-UHFFFAOYSA-N
TotalMolweight	479.374
Molweight	479.374
MonoisotopicMass	477.965659
CLogP	2.9551
CLogS	-6.073
H Acceptors	6
TotalSurfaceArea	314.56
Relative PSA	0.32585
PolarSurfaceArea	132.75
Druglikeness	-2.9323
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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