N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

Formula:C20H9N4O6F13 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is not a drug-like molecule.

MolName	N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
MolecularFormula	C20H9N4O6F13
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1ccc(/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/C20H9F13N4O6/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)14(38)35-34-8-9-1-4-11(5-2-9)43-13-6-3-10(36(39)40)7-12(13)37(41)42/h1-8H,(H,35,38)
InChIK	MHRAHWHCDGSLSC-UHFFFAOYSA-N
TotalMolweight	648.287
Molweight	648.287
MonoisotopicMass	648.03145
CLogP	5.3395
CLogS	-10.098
H Acceptors	10
H Donors	1
TotalSurfaceArea	389.34
Relative PSA	0.27444
PolarSurfaceArea	142.33
Druglikeness	-117.64
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51163
Fragments	1
Non HAtoms	43
NonCHAtoms	23
Electronegative Atoms	23
Rotatable Bond	12
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	9
AcidicOxygens	2
StereoCon

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1 - N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide | 2 - N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

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