(4Z)-4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one

Formula:C33H22N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one is not a drug-like molecule.

MolName	(4Z)-4-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2,5-diphenylpyrazol-3-one
MolecularFormula	C33H22N4O2
Smiles	O=C(/C1=C\c2cn(-c3ccccc3)nc2-c2cc(cccc3)c3o2)N(c2ccccc2)N=C1c1ccccc1
InChI	InChI=1S/C33H22N4O2/c38-33-28(31(23-12-4-1-5-13-23)35-37(33)27-17-8-3-9-18-27)20-25-22-36(26-15-6-2-7-16-26)34-32(25)30-21-24-14-10-11-19-29(24)39-30/h1-22H
InChIK	IJCYRBDCLUXMOI-UHFFFAOYSA-N
TotalMolweight	506.564
Molweight	506.564
MonoisotopicMass	506.174276
CLogP	6.2484
CLogS	-7.195
H Acceptors	6
TotalSurfaceArea	386.78
Relative PSA	0.15526
PolarSurfaceArea	63.63
Druglikeness	4.1315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.38462
Fragments	1
Non HAtoms	39
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	32
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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