2-(2,4-dichlorophenoxy)ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C18H14O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-(2,4-dichlorophenoxy)ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	2-(2,4-dichlorophenoxy)ethyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C18H14O5Cl2
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)OCCOc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H14Cl2O5/c19-13-3-5-15(14(20)10-13)22-7-8-23-18(21)6-2-12-1-4-16-17(9-12)25-11-24-16/h1-6,9-10H,7-8,11H2
InChIK	LRFMKOPOCDZBFT-UHFFFAOYSA-N
TotalMolweight	381.21
Molweight	381.21
MonoisotopicMass	380.021829
CLogP	4.6502
CLogS	-5.56
H Acceptors	5
TotalSurfaceArea	275.89
Relative PSA	0.19225
PolarSurfaceArea	53.99
Druglikeness	-9.7083
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
StereoCon

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