N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide

Formula:C18H16N2O2ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide is not a drug-like molecule.

MolName	N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
MolecularFormula	C18H16N2O2ClF3S
Smiles	CC(C)Oc(cc1)ccc1C(NC(Nc(cc(C(F)(F)F)cc1)c1Cl)=S)=O
InChI	InChI=1S/C18H16ClF3N2O2S/c1-10(2)26-13-6-3-11(4-7-13)16(25)24-17(27)23-15-9-12(18(20,21)22)5-8-14(15)19/h3-10H,1-2H3,(H2,23,24,25,27)
InChIK	LXUGSKHMAQICLK-UHFFFAOYSA-N
TotalMolweight	416.85
Molweight	416.85
MonoisotopicMass	416.057309
CLogP	5.1394
CLogS	-5.883
H Acceptors	4
H Donors	2
TotalSurfaceArea	298.3
Relative PSA	0.24794
PolarSurfaceArea	82.45
Druglikeness	-6.9335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	5
Amides	1
StereoCon

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