2-[[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Formula:C25H16N3O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile is not a drug-like molecule.

MolName	2-[[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile
MolecularFormula	C25H16N3O4Br
Smiles	N#Cc1c(COc2ccc(/C=C(\C(NC(N3c4cccc(Br)c4)=O)=O)/C3=O)cc2)cccc1
InChI	InChI=1S/C25H16BrN3O4/c26-19-6-3-7-20(13-19)29-24(31)22(23(30)28-25(29)32)12-16-8-10-21(11-9-16)33-15-18-5-2-1-4-17(18)14-27/h1-13H,15H2,(H,28,30,32)
InChIK	ZDNSNBQVMFJRPB-UHFFFAOYSA-N
TotalMolweight	502.323
Molweight	502.323
MonoisotopicMass	501.032418
CLogP	4.0643
CLogS	-6.835
H Acceptors	7
H Donors	1
TotalSurfaceArea	343.1
Relative PSA	0.22644
PolarSurfaceArea	99.5
Druglikeness	-1.5527
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[4-[(E)-[1-(3-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile

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