2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(Z)-(4-nitrophenyl)methylideneamino]heptanamide

Formula:C14H6N3O3F13 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(Z)-(4-nitrophenyl)methylideneamino]heptanamide is not a drug-like molecule.

MolName	2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(Z)-(4-nitrophenyl)methylideneamino]heptanamide
MolecularFormula	C14H6N3O3F13
Smiles	[O-][N+](c1ccc(/C=N\NC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)cc1)=O
InChI	InChI=1S/C14H6F13N3O3/c15-9(16,8(31)29-28-5-6-1-3-7(4-2-6)30(32)33)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-5H,(H,29,31)
InChIK	QPJPZZIYRQWGNT-UHFFFAOYSA-N
TotalMolweight	511.194
Molweight	511.194
MonoisotopicMass	511.020156
CLogP	4.8655
CLogS	-7.341
H Acceptors	6
H Donors	1
TotalSurfaceArea	295.91
Relative PSA	0.22449
PolarSurfaceArea	87.28
Druglikeness	-117.54
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	19
Electronegative Atoms	19
Rotatable Bond	9
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	9
AcidicOxygens	1
StereoCon

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1 - 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(Z)-(4-nitrophenyl)methylideneamino]heptanamide | 2 - 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(Z)-(4-nitrophenyl)methylideneamino]heptanamide

Request More Details | 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-[(Z)-(4-nitrophenyl)methylideneamino]heptanamide

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