(9,10-dioxoanthracen-1-yl) (E)-3-phenylprop-2-enoate

Formula:C23H14O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (9,10-dioxoanthracen-1-yl) (E)-3-phenylprop-2-enoate is a drug-like molecule.

MolName	(9,10-dioxoanthracen-1-yl) (E)-3-phenylprop-2-enoate
MolecularFormula	C23H14O4
Smiles	O=C(/C=C/c1ccccc1)Oc(cccc1C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C23H14O4/c24-20(14-13-15-7-2-1-3-8-15)27-19-12-6-11-18-21(19)23(26)17-10-5-4-9-16(17)22(18)25/h1-14H
InChIK	DAPTWPCDLDOQEG-UHFFFAOYSA-N
TotalMolweight	354.36
Molweight	354.36
MonoisotopicMass	354.08921
CLogP	4.7931
CLogS	-6.57
H Acceptors	4
TotalSurfaceArea	269.03
Relative PSA	0.18258
PolarSurfaceArea	60.44
Druglikeness	-2.807
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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