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

Formula:C15H10N4O2ClF3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(2-nitrophenyl)methylideneamino]thiourea is a drug-like molecule.

MolName	1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-(2-nitrophenyl)methylideneamino]thiourea
MolecularFormula	C15H10N4O2ClF3S
Smiles	[O-][N+](c1c(/C=N\NC(Nc(cc(C(F)(F)F)cc2)c2Cl)=S)cccc1)=O
InChI	InChI=1S/C15H10ClF3N4O2S/c16-11-6-5-10(15(17,18)19)7-12(11)21-14(26)22-20-8-9-3-1-2-4-13(9)23(24)25/h1-8H,(H2,21,22,26)
InChIK	YHPZOUUNMLDJMK-UHFFFAOYSA-N
TotalMolweight	402.783
Molweight	402.783
MonoisotopicMass	402.016507
CLogP	4.1249
CLogS	-6.295
H Acceptors	6
H Donors	2
TotalSurfaceArea	281.96
Relative PSA	0.3293
PolarSurfaceArea	114.33
Druglikeness	-10.165
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments