2-(2-fluorophenoxy)-1-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

Formula:C28H23N4O6F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-fluorophenoxy)-1-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone is not a drug-like molecule.

MolName	2-(2-fluorophenoxy)-1-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
MolecularFormula	C28H23N4O6F
Smiles	[O-][N+](c1ccc(C(C2CCC3)N(C(COc(cccc4)c4F)=O)N=C2/C3=C/c(cc2)ccc2[N+]([O-])=O)cc1)=O
InChI	InChI=1S/C28H23FN4O6/c29-24-6-1-2-7-25(24)39-17-26(34)31-28(19-10-14-22(15-11-19)33(37)38)23-5-3-4-20(27(23)30-31)16-18-8-12-21(13-9-18)32(35)36/h1-2,6-16,23,28H,3-5,17H2
InChIK	WCWIJPQJVBGTJF-UHFFFAOYSA-N
TotalMolweight	530.511
Molweight	530.511
MonoisotopicMass	530.160164
CLogP	3.689
CLogS	-6.586
H Acceptors	10
TotalSurfaceArea	385.24
Relative PSA	0.25683
PolarSurfaceArea	133.54
Druglikeness	-5.7326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	2
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	4
AcidicOxygens	2
StereoCon	unknown chirality

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1 - 2-(2-fluorophenoxy)-1-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone | 2 - 2-(2-fluorophenoxy)-1-[(7E)-3-(4-nitrophenyl)-7-[(4-nitrophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone

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