N'-(benzenesulfonyl)-N-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2,2,2-trifluoroethanimidamide

Formula:C16H11N2O3ClF6S Mutagenic:high Tumorigenic:low Reproductive Effective:high N'-(benzenesulfonyl)-N-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2,2,2-trifluoroethanimidamide is a drug-like molecule.

MolName	N'-(benzenesulfonyl)-N-[3-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-2,2,2-trifluoroethanimidamide
MolecularFormula	C16H11N2O3ClF6S
Smiles	O=S(c1ccccc1)(/N=C(\C(F)(F)F)/Nc1cccc(OC(C(F)Cl)(F)F)c1)=O
InChI	InChI=1S/C16H11ClF6N2O3S/c17-13(18)16(22,23)28-11-6-4-5-10(9-11)24-14(15(19,20)21)25-29(26,27)12-7-2-1-3-8-12/h1-9,13H,(H,24,25)/t13-/m1/s1
InChIK	KSQDJFCCOUJVIE-CYBMUJFWSA-N
TotalMolweight	460.781
Molweight	460.781
MonoisotopicMass	460.008308
CLogP	4.1659
CLogS	-5.387
H Acceptors	5
H Donors	1
TotalSurfaceArea	292.87
Relative PSA	0.21016
PolarSurfaceArea	76.14
Druglikeness	-22.361
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
BasicNitrogens	1
StereoCon	racemate

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