(Z)-3-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)prop-2-enenitrile

Formula:C16H10NO2Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)prop-2-enenitrile
MolecularFormula	C16H10NO2Br
Smiles	N#C/C(/c(cccc1)c1Br)=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C16H10BrNO2/c17-14-4-2-1-3-13(14)12(9-18)7-11-5-6-15-16(8-11)20-10-19-15/h1-8H,10H2
InChIK	ULCSKRJYTVBPDF-UHFFFAOYSA-N
TotalMolweight	328.164
Molweight	328.164
MonoisotopicMass	326.98949
CLogP	4.1692
CLogS	-5.174
H Acceptors	3
TotalSurfaceArea	218.33
Relative PSA	0.15371
PolarSurfaceArea	42.25
Druglikeness	-6.8825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
StereoCon

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