(E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile

Formula:C24H16N3O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(3-bromo-4-phenylmethoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
MolecularFormula	C24H16N3O2Br
Smiles	N#C/C(/c1nc(-c2ccccc2)no1)=C\c(cc1)cc(Br)c1OCc1ccccc1
InChI	InChI=1S/C24H16BrN3O2/c25-21-14-18(11-12-22(21)29-16-17-7-3-1-4-8-17)13-20(15-26)24-27-23(28-30-24)19-9-5-2-6-10-19/h1-14H,16H2
InChIK	IZLQCYRMECZIIN-UHFFFAOYSA-N
TotalMolweight	458.314
Molweight	458.314
MonoisotopicMass	457.042588
CLogP	5.225
CLogS	-6.707
H Acceptors	5
TotalSurfaceArea	328.56
Relative PSA	0.18143
PolarSurfaceArea	71.94
Druglikeness	-4.6014
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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