(1Z,5Z)-1,6-dihydroxy-1-(4-nitrophenyl)-6-phenylhexa-1,5-diene-3,4-dione

Formula:C18H13NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1Z,5Z)-1,6-dihydroxy-1-(4-nitrophenyl)-6-phenylhexa-1,5-diene-3,4-dione is a drug-like molecule.

MolName	(1Z,5Z)-1,6-dihydroxy-1-(4-nitrophenyl)-6-phenylhexa-1,5-diene-3,4-dione
MolecularFormula	C18H13NO6
Smiles	[O-][N+](c(cc1)ccc1/C(/O)=C/C(C(/C=C(/c1ccccc1)\O)=O)=O)=O
InChI	InChI=1S/C18H13NO6/c20-15(12-4-2-1-3-5-12)10-17(22)18(23)11-16(21)13-6-8-14(9-7-13)19(24)25/h1-11,20-21H
InChIK	ALEVZLFKRMFDBA-UHFFFAOYSA-N
TotalMolweight	339.302
Molweight	339.302
MonoisotopicMass	339.074289
CLogP	0.9942
CLogS	-3.434
H Acceptors	7
H Donors	2
TotalSurfaceArea	254.31
Relative PSA	0.32519
PolarSurfaceArea	120.42
Druglikeness	-8.2249
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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1 - (1Z,5Z)-1,6-dihydroxy-1-(4-nitrophenyl)-6-phenylhexa-1,5-diene-3,4-dione | 2 - (1Z,5Z)-1,6-dihydroxy-1-(4-nitrophenyl)-6-phenylhexa-1,5-diene-3,4-dione

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