N-[(Z)-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline

Formula:C17H11N5O2ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline is a drug-like molecule.

MolName	N-[(Z)-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
MolecularFormula	C17H11N5O2ClF3
Smiles	[O-][N+](/C(/c1nnc(C(F)(F)F)n1-c(cc1)ccc1Cl)=C\Nc1ccccc1)=O
InChI	InChI=1S/C17H11ClF3N5O2/c18-11-6-8-13(9-7-11)25-15(23-24-16(25)17(19,20)21)14(26(27)28)10-22-12-4-2-1-3-5-12/h1-10,22H
InChIK	TVNYTDYQSBVSES-UHFFFAOYSA-N
TotalMolweight	409.754
Molweight	409.754
MonoisotopicMass	409.055336
CLogP	2.1927
CLogS	-5.979
H Acceptors	7
H Donors	1
TotalSurfaceArea	284.22
Relative PSA	0.24872
PolarSurfaceArea	88.56
Druglikeness	-16.798
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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