5-(4-chlorophenyl)-1-[(E)-2-phenylethenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone

Formula:C28H18NO5Cl Mutagenic:high Tumorigenic:none Reproductive Effective:high 5-(4-chlorophenyl)-1-[(E)-2-phenylethenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is a drug-like molecule.

MolName	5-(4-chlorophenyl)-1-[(E)-2-phenylethenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
MolecularFormula	C28H18NO5Cl
Smiles	O=C(C(C1C2=O)C(/C=C/c3ccccc3)OC1(C(c1c3cccc1)=O)C3=O)N2c(cc1)ccc1Cl
InChI	InChI=1S/C28H18ClNO5/c29-17-11-13-18(14-12-17)30-26(33)22-21(15-10-16-6-2-1-3-7-16)35-28(23(22)27(30)34)24(31)19-8-4-5-9-20(19)25(28)32/h1-15,21-23H/b15-10+
InChIK	REFKVHSIRLCZNS-XNTDXEJSSA-N
TotalMolweight	483.906
Molweight	483.906
MonoisotopicMass	483.087351
CLogP	3.8216
CLogS	-6.776
H Acceptors	6
TotalSurfaceArea	333.41
Relative PSA	0.19708
PolarSurfaceArea	80.75
Druglikeness	3.3223
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	3
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	9
Amides	1
StereoCon	unknown chirality

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1 - 5-(4-chlorophenyl)-1-[(E)-2-phenylethenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone | 2 - 5-(4-chlorophenyl)-1-[(E)-2-phenylethenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone

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