[(Z)-(2,4-dichlorophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate

Formula:C18H10N3O2Cl2F3 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(Z)-(2,4-dichlorophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate is not a drug-like molecule.

MolName	[(Z)-(2,4-dichlorophenyl)methylideneamino] 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate
MolecularFormula	C18H10N3O2Cl2F3
Smiles	O=C(c1c(C(F)(F)F)n(-c2ccccc2)nc1)O/N=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H10Cl2F3N3O2/c19-12-7-6-11(15(20)8-12)9-25-28-17(27)14-10-24-26(16(14)18(21,22)23)13-4-2-1-3-5-13/h1-10H
InChIK	COFYSGWPMSRRDE-UHFFFAOYSA-N
TotalMolweight	428.196
Molweight	428.196
MonoisotopicMass	427.010215
CLogP	5.2012
CLogS	-5.78
H Acceptors	5
TotalSurfaceArea	293.55
Relative PSA	0.17847
PolarSurfaceArea	56.48
Druglikeness	-6.174
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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