2-[4-[(1E,3E)-4-(4-bromophenyl)buta-1,3-dienyl]phenyl]-5-phenyl-1,3-oxazole

Formula:C25H18NOBr Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(1E,3E)-4-(4-bromophenyl)buta-1,3-dienyl]phenyl]-5-phenyl-1,3-oxazole is not a drug-like molecule.

MolName	2-[4-[(1E,3E)-4-(4-bromophenyl)buta-1,3-dienyl]phenyl]-5-phenyl-1,3-oxazole
MolecularFormula	C25H18NOBr
Smiles	Brc1ccc(/C=C/C=C/c(cc2)ccc2-c2ncc(-c3ccccc3)o2)cc1
InChI	InChI=1S/C25H18BrNO/c26-23-16-12-20(13-17-23)7-5-4-6-19-10-14-22(15-11-19)25-27-18-24(28-25)21-8-2-1-3-9-21/h1-18H
InChIK	HTWFTIRPLKSSIZ-UHFFFAOYSA-N
TotalMolweight	428.328
Molweight	428.328
MonoisotopicMass	427.057175
CLogP	7.214
CLogS	-8.27
H Acceptors	2
TotalSurfaceArea	312.62
Relative PSA	0.080225
PolarSurfaceArea	26.03
Druglikeness	-2.0242
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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