5-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]isoindole-1,3-dione

Formula:C28H17N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]isoindole-1,3-dione is a drug-like molecule.

MolName	5-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]isoindole-1,3-dione
MolecularFormula	C28H17N3O4
Smiles	O=C(c(cc1)c2cc1-c1ccc(/C=C(/C(c3ccccc3)=NN3c4ccccc4)\C3=O)o1)NC2=O
InChI	InChI=1S/C28H17N3O4/c32-26-21-13-11-18(15-22(21)27(33)29-26)24-14-12-20(35-24)16-23-25(17-7-3-1-4-8-17)30-31(28(23)34)19-9-5-2-6-10-19/h1-16H,(H,29,32,33)
InChIK	DYRUSRXIHUVXAG-UHFFFAOYSA-N
TotalMolweight	459.46
Molweight	459.46
MonoisotopicMass	459.121907
CLogP	4.8068
CLogS	-6.662
H Acceptors	7
H Donors	1
TotalSurfaceArea	337.92
Relative PSA	0.236
PolarSurfaceArea	91.98
Druglikeness	6.0237
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Symmetricatoms	4
Amides	1
StereoCon

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