(5Z)-5-[[5-nitro-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C21H18N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[5-nitro-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[5-nitro-2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C21H18N2O5S2
Smiles	C=CCc(cccc1)c1OCCOc(cc1)c(/C=C(/C(N2)=O)\SC2=S)cc1[N+]([O-])=O
InChI	InChI=1S/C21H18N2O5S2/c1-2-5-14-6-3-4-7-17(14)27-10-11-28-18-9-8-16(23(25)26)12-15(18)13-19-20(24)22-21(29)30-19/h2-4,6-9,12-13H,1,5,10-11H2,(H,22,24,29)
InChIK	FUCVNNBMKSFKFK-UHFFFAOYSA-N
TotalMolweight	442.515
Molweight	442.515
MonoisotopicMass	442.065713
CLogP	2.606
CLogS	-5.94
H Acceptors	7
H Donors	1
TotalSurfaceArea	333.13
Relative PSA	0.36145
PolarSurfaceArea	150.77
Druglikeness	-12.455
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Amides	1
AcidicOxygens	1
StereoCon

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