[(Z)-(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea

Formula:C6H5N3OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea is a drug-like molecule.

MolName	[(Z)-(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]thiourea
MolecularFormula	C6H5N3OF6S
Smiles	NC(N/N=C(/CC(C(F)(F)F)=O)\C(F)(F)F)=S
InChI	InChI=1S/C6H5F6N3OS/c7-5(8,9)2(14-15-4(13)17)1-3(16)6(10,11)12/h1H2,(H3,13,15,17)
InChIK	DDCRDTTVMHRJFL-UHFFFAOYSA-N
TotalMolweight	281.18
Molweight	281.18
MonoisotopicMass	281.00575
CLogP	1.1421
CLogS	-3.536
H Acceptors	4
H Donors	2
TotalSurfaceArea	179.59
Relative PSA	0.44145
PolarSurfaceArea	99.57
Druglikeness	-36.005
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Sp3Atoms	4
Symmetricatoms	4
StereoCon

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