(9E)-9-benzylidene-2,5,7-trinitrofluorene-4-carboxylic acid

Formula:C21H11N3O8 Mutagenic:high Tumorigenic:high Reproductive Effective:high (9E)-9-benzylidene-2,5,7-trinitrofluorene-4-carboxylic acid is not a drug-like molecule.

MolName	(9E)-9-benzylidene-2,5,7-trinitrofluorene-4-carboxylic acid
MolecularFormula	C21H11N3O8
Smiles	[O-][N+](c(cc1/C(/c2cc([N+]([O-])=O)c3)=C\c4ccccc4)cc(C(O)=O)c1-c2c3[N+]([O-])=O)=O
InChI	InChI=1S/C21H11N3O8/c25-21(26)17-9-12(22(27)28)7-15-14(6-11-4-2-1-3-5-11)16-8-13(23(29)30)10-18(24(31)32)20(16)19(15)17/h1-10H,(H,25,26)
InChIK	SBHQXLAOGANXOY-UHFFFAOYSA-N
TotalMolweight	433.331
Molweight	433.331
MonoisotopicMass	433.054617
CLogP	2.0212
CLogS	-7.35
H Acceptors	11
H Donors	1
TotalSurfaceArea	299.1
Relative PSA	0.39251
PolarSurfaceArea	174.76
Druglikeness	-5.79
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.34375
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	4
StereoCon

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