(3-chlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C16H10O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3-chlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	(3-chlorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C16H10O4BrCl
Smiles	O=C(/C=C/c(cc1OCOc1c1)c1Br)Oc1cc(Cl)ccc1
InChI	InChI=1S/C16H10BrClO4/c17-13-8-15-14(20-9-21-15)6-10(13)4-5-16(19)22-12-3-1-2-11(18)7-12/h1-8H,9H2
InChIK	KJQGOSARTOROJQ-UHFFFAOYSA-N
TotalMolweight	381.608
Molweight	381.608
MonoisotopicMass	379.945098
CLogP	4.8619
CLogS	-5.737
H Acceptors	4
TotalSurfaceArea	241.58
Relative PSA	0.17816
PolarSurfaceArea	44.76
Druglikeness	-4.9593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon

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