(5Z)-5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione

Formula:C21H14N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:high (5Z)-5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5Z)-5-[[1-(4-bromophenyl)pyrrol-2-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
MolecularFormula	C21H14N3O3Br
Smiles	O=C(/C(/C(N1c2ccccc2)=O)=C/c2cccn2-c(cc2)ccc2Br)NC1=O
InChI	InChI=1S/C21H14BrN3O3/c22-14-8-10-15(11-9-14)24-12-4-7-17(24)13-18-19(26)23-21(28)25(20(18)27)16-5-2-1-3-6-16/h1-13H,(H,23,26,28)
InChIK	TXBRGDQAWKETAB-UHFFFAOYSA-N
TotalMolweight	436.264
Molweight	436.264
MonoisotopicMass	435.021853
CLogP	3.1195
CLogS	-7.058
H Acceptors	6
H Donors	1
TotalSurfaceArea	286.83
Relative PSA	0.21267
PolarSurfaceArea	71.41
Druglikeness	3.1593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	1
StereoCon

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