[(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate

Formula:C12H6N3O2Cl3F6 Mutagenic:high Tumorigenic:low Reproductive Effective:high [(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate is not a drug-like molecule.

MolName	[(E)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate
MolecularFormula	C12H6N3O2Cl3F6
Smiles	N/C(/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(NC(Cl)=C(Cl)Cl)=O
InChI	InChI=1S/C12H6Cl3F6N3O2/c13-7(14)8(15)23-10(25)26-24-9(22)4-1-5(11(16,17)18)3-6(2-4)12(19,20)21/h1-3H,(H2,22,24)(H,23,25)
InChIK	ZHZVXZUMWRUFRR-UHFFFAOYSA-N
TotalMolweight	444.546
Molweight	444.546
MonoisotopicMass	442.942976
CLogP	5.7433
CLogS	-6.589
H Acceptors	5
H Donors	2
TotalSurfaceArea	272.06
Relative PSA	0.22524
PolarSurfaceArea	76.71
Druglikeness	-12.437
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	1,1-dihalo-alkene; 1,2-dihalo-alkene
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	9
Amides	1
StereoCon

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