2-[2-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetonitrile

Formula:C12H9N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[2-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetonitrile is a drug-like molecule.

MolName	2-[2-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetonitrile
MolecularFormula	C12H9N3O2S
Smiles	N#CCOc1c(/C=C(\C(N2)=O)/NC2=S)cccc1
InChI	InChI=1S/C12H9N3O2S/c13-5-6-17-10-4-2-1-3-8(10)7-9-11(16)15-12(18)14-9/h1-4,7H,6H2,(H2,14,15,16,18)
InChIK	HVBBOTGEUKJELC-UHFFFAOYSA-N
TotalMolweight	259.288
Molweight	259.288
MonoisotopicMass	259.041547
CLogP	0.8107
CLogS	-3.286
H Acceptors	5
H Donors	2
TotalSurfaceArea	203.32
Relative PSA	0.43045
PolarSurfaceArea	106.24
Druglikeness	-2.3381
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	1
StereoCon

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