(2-oxocyclohexyl) (E)-3-(furan-2-yl)prop-2-enoate

Formula:C13H14O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (2-oxocyclohexyl) (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	(2-oxocyclohexyl) (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C13H14O4
Smiles	O=C(/C=C/c1ccco1)OC(CCCC1)C1=O
InChI	InChI=1S/C13H14O4/c14-11-5-1-2-6-12(11)17-13(15)8-7-10-4-3-9-16-10/h3-4,7-9,12H,1-2,5-6H2/t12-/m0/s1
InChIK	CQOVNZAPAGORCD-LBPRGKRZSA-N
TotalMolweight	234.25
Molweight	234.25
MonoisotopicMass	234.08921
CLogP	1.9378
CLogS	-3.035
H Acceptors	4
TotalSurfaceArea	188.99
Relative PSA	0.26557
PolarSurfaceArea	56.51
Druglikeness	-9.5007
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	6
StereoCon	racemate

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