1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea

Formula:C13H8N4O3ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea is a drug-like molecule.

MolName	1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea
MolecularFormula	C13H8N4O3ClF3S
Smiles	[O-][N+](c1ccc(/C=N\NC(Nc(cc(C(F)(F)F)cc2)c2Cl)=S)o1)=O
InChI	InChI=1S/C13H8ClF3N4O3S/c14-9-3-1-7(13(15,16)17)5-10(9)19-12(25)20-18-6-8-2-4-11(24-8)21(22)23/h1-6H,(H2,19,20,25)
InChIK	SWDRMLUPLYTSNN-UHFFFAOYSA-N
TotalMolweight	392.745
Molweight	392.745
MonoisotopicMass	391.995772
CLogP	3.665
CLogS	-6.502
H Acceptors	7
H Donors	2
TotalSurfaceArea	271.65
Relative PSA	0.39374
PolarSurfaceArea	127.47
Druglikeness	-6.115
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea | 2 - 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea

Request More Details | 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]thiourea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments