N-[(4Z)-1,3-dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide

Formula:C9H5N2O2Br2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(4Z)-1,3-dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide is a drug-like molecule.

MolName	N-[(4Z)-1,3-dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide
MolecularFormula	C9H5N2O2Br2F3S
Smiles	O/N=C(/CC(c1c(s2)Br)NC(C(F)(F)F)=O)\c1c2Br
InChI	InChI=1S/C9H5Br2F3N2O2S/c10-6-4-2(15-8(17)9(12,13)14)1-3(16-18)5(4)7(11)19-6/h2,18H,1H2,(H,15,17)/t2-/m1/s1
InChIK	BBWWRPCRJYGQGF-UWTATZPHSA-N
TotalMolweight	422.019
Molweight	422.019
MonoisotopicMass	419.839054
CLogP	3.9579
CLogS	-5.062
H Acceptors	4
H Donors	2
TotalSurfaceArea	207.21
Relative PSA	0.33526
PolarSurfaceArea	89.93
Druglikeness	-27.881
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47368
Fragments	1
Non HAtoms	19
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon	racemate

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1 - N-[(4Z)-1,3-dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide | 2 - N-[(4Z)-1,3-dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide

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