(1E,4E)-1,5-dihydroxy-3-oxo-1,5-diphenylpenta-1,4-diene-2,4-didiazonium

Formula:C17H12N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,4E)-1,5-dihydroxy-3-oxo-1,5-diphenylpenta-1,4-diene-2,4-didiazonium is a drug-like molecule.

MolName	(1E,4E)-1,5-dihydroxy-3-oxo-1,5-diphenylpenta-1,4-diene-2,4-didiazonium
MolecularFormula	C17H12N4O3
Smiles	N#[N+]/C(/C(/C(/[N+]#N)=C(/c1ccccc1)\O)=O)=C(\c1ccccc1)/O
InChI	InChI=1S/C17H10N4O3/c18-20-13(15(22)11-7-3-1-4-8-11)17(24)14(21-19)16(23)12-9-5-2-6-10-12/h1-10H/p+2
InChIK	WKBMGQASPDIQBM-UHFFFAOYSA-P
TotalMolweight	320.307
Molweight	320.307
MonoisotopicMass	320.090941
CLogP	2.3308
CLogS	-3.126
H Acceptors	7
H Donors	2
TotalSurfaceArea	258.45
Relative PSA	0.3942
PolarSurfaceArea	113.83
Druglikeness	-2.3675
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	13
StereoCon

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