8-chloro-3-[(Z)-(2,4,6-tribromophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

Formula:C17H8N4O2Br3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 8-chloro-3-[(Z)-(2,4,6-tribromophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione is not a drug-like molecule.

MolName	8-chloro-3-[(Z)-(2,4,6-tribromophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
MolecularFormula	C17H8N4O2Br3Cl
Smiles	O=C(c([nH]c(cc1)c2cc1Cl)c2NC1=O)N1/N=C\c(c(Br)cc(Br)c1)c1Br
InChI	InChI=1S/C17H8Br3ClN4O2/c18-7-3-11(19)10(12(20)4-7)6-22-25-16(26)15-14(24-17(25)27)9-5-8(21)1-2-13(9)23-15/h1-6,23H,(H,24,27)
InChIK	LGPVSVIQUZDDLT-UHFFFAOYSA-N
TotalMolweight	575.442
Molweight	575.442
MonoisotopicMass	571.788586
CLogP	5.298
CLogS	-7.885
H Acceptors	6
H Donors	2
TotalSurfaceArea	297.02
Relative PSA	0.22419
PolarSurfaceArea	77.56
Druglikeness	3.527
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 8-chloro-3-[(Z)-(2,4,6-tribromophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione | 2 - 8-chloro-3-[(Z)-(2,4,6-tribromophenyl)methylideneamino]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione

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