2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-5-(4-phenylphenyl)-1,3-oxazole

Formula:C31H23NO Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-5-(4-phenylphenyl)-1,3-oxazole is not a drug-like molecule.

MolName	2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-5-(4-phenylphenyl)-1,3-oxazole
MolecularFormula	C31H23NO
Smiles	C(/C=C/c(cc1)ccc1-c1ncc(-c(cc2)ccc2-c2ccccc2)o1)=C/c1ccccc1
InChI	InChI=1S/C31H23NO/c1-3-9-24(10-4-1)11-7-8-12-25-15-17-29(18-16-25)31-32-23-30(33-31)28-21-19-27(20-22-28)26-13-5-2-6-14-26/h1-23H
InChIK	OTYWIWBTUGAZKM-UHFFFAOYSA-N
TotalMolweight	425.53
Molweight	425.53
MonoisotopicMass	425.177964
CLogP	8.148
CLogS	-9.522
H Acceptors	2
TotalSurfaceArea	353.75
Relative PSA	0.070898
PolarSurfaceArea	26.03
Druglikeness	-0.2342
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.69697
Fragments	1
Non HAtoms	33
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	8
Aromatic Nitrogens	1
StereoCon

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1 - 2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-5-(4-phenylphenyl)-1,3-oxazole | 2 - 2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-5-(4-phenylphenyl)-1,3-oxazole

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