(1E,6E)-1,7-bis(2-hydroxyphenyl)hepta-1,6-diene-3,5-dione

Formula:C19H16O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,6E)-1,7-bis(2-hydroxyphenyl)hepta-1,6-diene-3,5-dione is a drug-like molecule.

MolName	(1E,6E)-1,7-bis(2-hydroxyphenyl)hepta-1,6-diene-3,5-dione
MolecularFormula	C19H16O4
Smiles	Oc1c(/C=C/C(CC(/C=C/c(cccc2)c2O)=O)=O)cccc1
InChI	InChI=1S/C19H16O4/c20-16(11-9-14-5-1-3-7-18(14)22)13-17(21)12-10-15-6-2-4-8-19(15)23/h1-12,22-23H,13H2
InChIK	DXORQEWMXKLOAN-UHFFFAOYSA-N
TotalMolweight	308.332
Molweight	308.332
MonoisotopicMass	308.10486
CLogP	3.089
CLogS	-3.586
H Acceptors	4
H Donors	2
TotalSurfaceArea	247.98
Relative PSA	0.21082
PolarSurfaceArea	74.6
Druglikeness	-4.8837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	11
StereoCon

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