2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid

Formula:C23H15N3O8S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid is not a drug-like molecule.

MolName	2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-sulfobenzoic acid
MolecularFormula	C23H15N3O8S
Smiles	[O-][N+](c1c(/C=C(/C2=O)\N=C(c3ccccc3)N2c(cc(cc2)S(O)(=O)=O)c2C(O)=O)cccc1)=O
InChI	InChI=1S/C23H15N3O8S/c27-22-18(12-15-8-4-5-9-19(15)26(30)31)24-21(14-6-2-1-3-7-14)25(22)20-13-16(35(32,33)34)10-11-17(20)23(28)29/h1-13H,(H,28,29)(H,32,33,34)
InChIK	ZJEGAENILUGAPL-UHFFFAOYSA-N
TotalMolweight	493.451
Molweight	493.451
MonoisotopicMass	493.057987
CLogP	0.4716
CLogS	-4.345
H Acceptors	11
H Donors	2
TotalSurfaceArea	337.71
Relative PSA	0.37411
PolarSurfaceArea	178.54
Druglikeness	-5.8337
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.37143
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	3
Amides	1
BasicNitrogens	1
AcidicOxygens	3
StereoCon

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