[(Z)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea

Formula:C13H13N3OF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea is a drug-like molecule.

MolName	[(Z)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea
MolecularFormula	C13H13N3OF6S
Smiles	NC(N/N=C(\CC(C(F)(F)F)(C(F)(F)F)O)/Cc1ccccc1)=S
InChI	InChI=1S/C13H13F6N3OS/c14-12(15,16)11(23,13(17,18)19)7-9(21-22-10(20)24)6-8-4-2-1-3-5-8/h1-5,23H,6-7H2,(H3,20,22,24)
InChIK	PCFADYHVEIBUEZ-UHFFFAOYSA-N
TotalMolweight	373.32
Molweight	373.32
MonoisotopicMass	373.06835
CLogP	2.9958
CLogS	-4.729
H Acceptors	4
H Donors	3
TotalSurfaceArea	252.12
Relative PSA	0.31469
PolarSurfaceArea	102.73
Druglikeness	-16.546
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.41667
Fragments	1
Non HAtoms	24
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	8
StereoCon

Click to Load Molecule:

1 - [(Z)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea | 2 - [(Z)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea

Request More Details | [(Z)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments