[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate

Formula:C25H18O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate
MolecularFormula	C25H18O5
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)ccc1OC(/C=C/c1ccccc1)=O
InChI	InChI=1S/C25H18O5/c26-22(13-6-19-7-14-23-24(16-19)29-17-28-23)20-9-11-21(12-10-20)30-25(27)15-8-18-4-2-1-3-5-18/h1-16H,17H2
InChIK	NJRLSEMUTSTBAJ-UHFFFAOYSA-N
TotalMolweight	398.413
Molweight	398.413
MonoisotopicMass	398.115425
CLogP	5.1749
CLogS	-6.391
H Acceptors	5
TotalSurfaceArea	311.54
Relative PSA	0.18001
PolarSurfaceArea	61.83
Druglikeness	-2.4067
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
StereoCon

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