2-[2-[(Z)-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenoxy]acetate

Formula:C17H12N3O3ClF3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[2-[(Z)-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.

MolName	2-[2-[(Z)-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenoxy]acetate
MolecularFormula	C17H12N3O3ClF3S
Smiles	[O-]C(COc1c(/C=N\NC(Nc(cc(C(F)(F)F)cc2)c2Cl)=S)cccc1)=O
InChI	InChI=1S/C17H13ClF3N3O3S/c18-12-6-5-11(17(19,20)21)7-13(12)23-16(28)24-22-8-10-3-1-2-4-14(10)27-9-15(25)26/h1-8H,9H2,(H,25,26)(H2,23,24,28)/p-1
InChIK	UGBAMGFDHMZJAA-UHFFFAOYSA-M
TotalMolweight	430.813
Molweight	430.813
MonoisotopicMass	430.023998
CLogP	2.0305
CLogS	-5.628
H Acceptors	6
H Donors	2
TotalSurfaceArea	307.33
Relative PSA	0.32457
PolarSurfaceArea	117.87
Druglikeness	-4.852
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(Z)-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenoxy]acetate

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