(1S,3Z,5S,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione

Formula:C19H16O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (1S,3Z,5S,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione is a drug-like molecule.

MolName	(1S,3Z,5S,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
MolecularFormula	C19H16O4
Smiles	O=C([C@@H](C[C@@H](C1)C2=O)C/C2=C/c2ccco2)/C1=C\c1ccco1
InChI	InChI=1S/C19H16O4/c20-18-13-7-12(8-14(18)10-16-3-1-5-22-16)19(21)15(9-13)11-17-4-2-6-23-17/h1-6,10-13H,7-9H2/t12-,13+
InChIK	YNULTRHQOASKMT-BETUJISGSA-N
TotalMolweight	308.332
Molweight	308.332
MonoisotopicMass	308.10486
CLogP	3.0944
CLogS	-4.282
H Acceptors	4
TotalSurfaceArea	236.6
Relative PSA	0.2295
PolarSurfaceArea	60.42
Druglikeness	0.59783
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
Symmetricatoms	11
StereoCon	this enantiomer

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1 - (1S,3Z,5S,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione | 2 - (1S,3Z,5S,7Z)-3,7-bis(furan-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione

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