2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-(trifluoromethyl)aniline

Formula:C16H11N4O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-(trifluoromethyl)aniline is a drug-like molecule.

MolName	2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-(trifluoromethyl)aniline
MolecularFormula	C16H11N4O4F3
Smiles	[O-][N+](c1c(/C=C/C=N\Nc(ccc(C(F)(F)F)c2)c2[N+]([O-])=O)cccc1)=O
InChI	InChI=1S/C16H11F3N4O4/c17-16(18,19)12-7-8-13(15(10-12)23(26)27)21-20-9-3-5-11-4-1-2-6-14(11)22(24)25/h1-10,21H
InChIK	XQEQGRAXVRIFJL-UHFFFAOYSA-N
TotalMolweight	380.281
Molweight	380.281
MonoisotopicMass	380.07324
CLogP	3.8643
CLogS	-5.139
H Acceptors	8
H Donors	1
TotalSurfaceArea	272.54
Relative PSA	0.30751
PolarSurfaceArea	116.03
Druglikeness	-10.275
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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1 - 2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-(trifluoromethyl)aniline | 2 - 2-nitro-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-4-(trifluoromethyl)aniline

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