4-N-(3-bromophenyl)-2-N-[(Z)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

Formula:C20H19N7OBrI Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(3-bromophenyl)-2-N-[(Z)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(3-bromophenyl)-2-N-[(Z)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H19N7OBrI
Smiles	Brc1cccc(Nc2nc(N/N=C\c(cc3)ccc3I)nc(N3CCOCC3)n2)c1
InChI	InChI=1S/C20H19BrIN7O/c21-15-2-1-3-17(12-15)24-18-25-19(27-20(26-18)29-8-10-30-11-9-29)28-23-13-14-4-6-16(22)7-5-14/h1-7,12-13H,8-11H2,(H2,24,25,26,27,28)
InChIK	VCKMCYJTQMWCPG-UHFFFAOYSA-N
TotalMolweight	580.223
Molweight	580.223
MonoisotopicMass	578.987917
CLogP	6.6242
CLogS	-6.866
H Acceptors	8
H Donors	2
TotalSurfaceArea	343.49
Relative PSA	0.23549
PolarSurfaceArea	87.56
Druglikeness	2.0543
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 4-N-(3-bromophenyl)-2-N-[(Z)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine | 2 - 4-N-(3-bromophenyl)-2-N-[(Z)-(4-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

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