N-[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]-2,4-dinitroaniline

Formula:C18H10N6O4ClF3 Mutagenic:none Tumorigenic:high Reproductive Effective:low N-[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]-2,4-dinitroaniline
MolecularFormula	C18H10N6O4ClF3
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\c1cnccc1)/c(ncc(C(F)(F)F)c1)c1Cl)=O
InChI	InChI=1S/C18H10ClF3N6O4/c19-13-6-11(18(20,21)22)9-24-17(13)16(10-2-1-5-23-8-10)26-25-14-4-3-12(27(29)30)7-15(14)28(31)32/h1-9,25H
InChIK	OEOODZZHZNHPDW-UHFFFAOYSA-N
TotalMolweight	466.762
Molweight	466.762
MonoisotopicMass	466.040415
CLogP	3.7009
CLogS	-5.793
H Acceptors	10
H Donors	1
TotalSurfaceArea	316.95
Relative PSA	0.33365
PolarSurfaceArea	141.81
Druglikeness	-11.259
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

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1 - N-[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]-2,4-dinitroaniline | 2 - N-[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-pyridin-3-ylmethylidene]amino]-2,4-dinitroaniline

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