(Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile

Formula:C16H9NO2BrF Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(3-fluorophenyl)prop-2-enenitrile
MolecularFormula	C16H9NO2BrF
Smiles	N#C/C(/c1cc(F)ccc1)=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C16H9BrFNO2/c17-14-7-16-15(20-9-21-16)6-11(14)4-12(8-19)10-2-1-3-13(18)5-10/h1-7H,9H2
InChIK	OMOZOXACZYUPLZ-UHFFFAOYSA-N
TotalMolweight	346.154
Molweight	346.154
MonoisotopicMass	344.980068
CLogP	4.27
CLogS	-5.488
H Acceptors	3
TotalSurfaceArea	224.68
Relative PSA	0.14937
PolarSurfaceArea	42.25
Druglikeness	-8.2225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
StereoCon

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