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

Formula:C16H10O4BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (3-fluorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	(3-fluorophenyl) (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C16H10O4BrF
Smiles	O=C(/C=C/c(cc1OCOc1c1)c1Br)Oc1cc(F)ccc1
InChI	InChI=1S/C16H10BrFO4/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	JZKRCTVESFPFBU-UHFFFAOYSA-N
TotalMolweight	365.153
Molweight	365.153
MonoisotopicMass	363.974649
CLogP	4.3567
CLogS	-5.315
H Acceptors	4
TotalSurfaceArea	232.51
Relative PSA	0.18511
PolarSurfaceArea	44.76
Druglikeness	-6.4272
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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