2-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

Formula:C18H14N3O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C18H14N3O3F3
Smiles	[O-][N+](c1c(CC(N/N=C\C=C\c2ccccc2)=O)ccc(C(F)(F)F)c1)=O
InChI	InChI=1S/C18H14F3N3O3/c19-18(20,21)15-9-8-14(16(12-15)24(26)27)11-17(25)23-22-10-4-7-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,25)
InChIK	VHNDPVKCBITAOS-UHFFFAOYSA-N
TotalMolweight	377.321
Molweight	377.321
MonoisotopicMass	377.098726
CLogP	3.1447
CLogS	-5.216
H Acceptors	6
H Donors	1
TotalSurfaceArea	280.38
Relative PSA	0.23693
PolarSurfaceArea	87.28
Druglikeness	-7.914
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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1 - 2-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[2-nitro-4-(trifluoromethyl)phenyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

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