[(E)-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butylidene]amino]thiourea

Formula:C6H7N3OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butylidene]amino]thiourea is a drug-like molecule.

MolName	[(E)-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butylidene]amino]thiourea
MolecularFormula	C6H7N3OF6S
Smiles	NC(N/N=C/CC(C(F)(F)F)(C(F)(F)F)O)=S
InChI	InChI=1S/C6H7F6N3OS/c7-5(8,9)4(16,6(10,11)12)1-2-14-15-3(13)17/h2,16H,1H2,(H3,13,15,17)
InChIK	VIQYDOCFAGVYKQ-UHFFFAOYSA-N
TotalMolweight	283.196
Molweight	283.196
MonoisotopicMass	283.0214
CLogP	1.0135
CLogS	-3.38
H Acceptors	4
H Donors	3
TotalSurfaceArea	180.39
Relative PSA	0.43982
PolarSurfaceArea	102.73
Druglikeness	-15.585
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Sp3Atoms	6
Symmetricatoms	6
StereoCon

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