(1E,4E)-3-benzyl-2,4-dihydroxypenta-1,4-diene-1,5-didiazonium

Formula:C12H12N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,4E)-3-benzyl-2,4-dihydroxypenta-1,4-diene-1,5-didiazonium is a drug-like molecule.

MolName	(1E,4E)-3-benzyl-2,4-dihydroxypenta-1,4-diene-1,5-didiazonium
MolecularFormula	C12H12N4O2
Smiles	N#[N+]/C=C(\C(Cc1ccccc1)/C(/O)=C\[N+]#N)/O
InChI	InChI=1S/C12H10N4O2/c13-15-7-11(17)10(12(18)8-16-14)6-9-4-2-1-3-5-9/h1-5,7-8,10H,6H2/p+2
InChIK	BIGBDMFRWJRLGJ-UHFFFAOYSA-P
TotalMolweight	244.253
Molweight	244.253
MonoisotopicMass	244.096026
CLogP	1.4708
CLogS	-2.597
H Acceptors	6
H Donors	2
TotalSurfaceArea	210.78
Relative PSA	0.42148
PolarSurfaceArea	96.76
Druglikeness	-2.5944
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	7
StereoCon

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