(5Z)-1-(4-chlorophenyl)-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

Formula:C33H22N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-1-(4-chlorophenyl)-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5Z)-1-(4-chlorophenyl)-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C33H22N3O3Cl
Smiles	O=C(/C(/C(N1c(cc2)ccc2Cl)=O)=C/c(cc2-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)NC1=O
InChI	InChI=1S/C33H22ClN3O3/c34-25-16-18-27(19-17-25)37-32(39)28(31(38)35-33(37)40)20-24-21-29(22-10-4-1-5-11-22)36(26-14-8-3-9-15-26)30(24)23-12-6-2-7-13-23/h1-21H,(H,35,38,40)
InChIK	UCSBJCKGUCTKID-UHFFFAOYSA-N
TotalMolweight	544.009
Molweight	544.009
MonoisotopicMass	543.134969
CLogP	6.4467
CLogS	-10.492
H Acceptors	6
H Donors	1
TotalSurfaceArea	403.14
Relative PSA	0.15131
PolarSurfaceArea	71.41
Druglikeness	4.9363
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.4
Fragments	1
Non HAtoms	40
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (5Z)-1-(4-chlorophenyl)-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5Z)-1-(4-chlorophenyl)-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

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