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

Formula:C15H12O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (1E,6E)-1,7-bis(furan-2-yl)hepta-1,6-diene-3,5-dione is a drug-like molecule.

MolName	(1E,6E)-1,7-bis(furan-2-yl)hepta-1,6-diene-3,5-dione
MolecularFormula	C15H12O4
Smiles	O=C(CC(/C=C/c1ccco1)=O)/C=C/c1ccco1
InChI	InChI=1S/C15H12O4/c16-12(5-7-14-3-1-9-18-14)11-13(17)6-8-15-4-2-10-19-15/h1-10H,11H2
InChIK	VVSPMCDLBJTCII-UHFFFAOYSA-N
TotalMolweight	256.256
Molweight	256.256
MonoisotopicMass	256.07356
CLogP	2.1578
CLogS	-3.542
H Acceptors	4
TotalSurfaceArea	214.66
Relative PSA	0.25296
PolarSurfaceArea	60.42
Druglikeness	-4.6704
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Symmetricatoms	9
StereoCon

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