2-[(E)-2-anthracen-9-ylethenyl]-4-phenyl-1-oxa-5-oxoniaspiro[5.5]undeca-2,4-diene

Formula:C31H27O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(E)-2-anthracen-9-ylethenyl]-4-phenyl-1-oxa-5-oxoniaspiro[5.5]undeca-2,4-diene is not a drug-like molecule.

MolName	2-[(E)-2-anthracen-9-ylethenyl]-4-phenyl-1-oxa-5-oxoniaspiro[5.5]undeca-2,4-diene
MolecularFormula	C31H27O2
Smiles	C(CC1)CCC1(OC(/C=C/c1c(cccc2)c2cc2ccccc12)=C1)[O+]=C1c1ccccc1
InChI	InChI=1S/C31H27O2/c1-3-11-23(12-4-1)30-22-26(32-31(33-30)19-9-2-10-20-31)17-18-29-27-15-7-5-13-24(27)21-25-14-6-8-16-28(25)29/h1,3-8,11-18,21-22H,2,9-10,19-20H2/q+1
InChIK	FENUJDFYTBJIIX-UHFFFAOYSA-N
TotalMolweight	431.553
Molweight	431.553
MonoisotopicMass	431.201105
CLogP	7.5061
CLogS	-8.736
H Acceptors	2
TotalSurfaceArea	327.1
Relative PSA	0.030572
PolarSurfaceArea	9.23
Druglikeness	-10.934
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.42424
Fragments	1
Non HAtoms	33
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	7
Symmetricatoms	10
StereoCon

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1 - 2-[(E)-2-anthracen-9-ylethenyl]-4-phenyl-1-oxa-5-oxoniaspiro[5.5]undeca-2,4-diene | 2 - 2-[(E)-2-anthracen-9-ylethenyl]-4-phenyl-1-oxa-5-oxoniaspiro[5.5]undeca-2,4-diene

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