2-[4-[(E)-2-anthracen-9-ylethenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

Formula:C36H24N2O Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[4-[(E)-2-anthracen-9-ylethenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole is not a drug-like molecule.

MolName	2-[4-[(E)-2-anthracen-9-ylethenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
MolecularFormula	C36H24N2O
Smiles	C(c(cc1)ccc1-c1nnc(-c(cc2)ccc2-c2ccccc2)o1)=C/c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C36H24N2O/c1-2-8-26(9-3-1)27-19-21-29(22-20-27)36-38-37-35(39-36)28-17-14-25(15-18-28)16-23-34-32-12-6-4-10-30(32)24-31-11-5-7-13-33(31)34/h1-24H
InChIK	JRQKPFYBOMVUGK-UHFFFAOYSA-N
TotalMolweight	500.6
Molweight	500.6
MonoisotopicMass	500.188863
CLogP	9.3827
CLogS	-12.924
H Acceptors	3
TotalSurfaceArea	395.21
Relative PSA	0.091217
PolarSurfaceArea	38.92
Druglikeness	0.30428
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	7
Aromatic Atoms	37
Symmetricatoms	12
Aromatic Nitrogens	2
StereoCon

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1 - 2-[4-[(E)-2-anthracen-9-ylethenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole | 2 - 2-[4-[(E)-2-anthracen-9-ylethenyl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

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