4-nitro-2-[[3-[(5-nitro-2-oxidophenyl)carbamoyl]benzoyl]amino]phenolate

Formula:C20H12N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-nitro-2-[[3-[(5-nitro-2-oxidophenyl)carbamoyl]benzoyl]amino]phenolate is not a drug-like molecule.

MolName	4-nitro-2-[[3-[(5-nitro-2-oxidophenyl)carbamoyl]benzoyl]amino]phenolate
MolecularFormula	C20H12N4O8
Smiles	[O-]c(ccc([N+]([O-])=O)c1)c1NC(c1cccc(C(Nc(cc(cc2)[N+]([O-])=O)c2[O-])=O)c1)=O
InChI	InChI=1S/C20H14N4O8/c25-17-6-4-13(23(29)30)9-15(17)21-19(27)11-2-1-3-12(8-11)20(28)22-16-10-14(24(31)32)5-7-18(16)26/h1-10,25-26H,(H,21,27)(H,22,28)/p-2
InChIK	BFJXGNDCJKJBPA-UHFFFAOYSA-L
TotalMolweight	436.335
Molweight	436.335
MonoisotopicMass	436.065516
CLogP	-1.736
CLogS	-4.968
H Acceptors	12
H Donors	2
TotalSurfaceArea	313.6
Relative PSA	0.44133
PolarSurfaceArea	195.96
Druglikeness	-4.4325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	15
Amides	2
AcidicOxygens	2
StereoCon

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