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

Formula:C20H19N7OClI Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-(4-chlorophenyl)-2-N-[(Z)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-(4-chlorophenyl)-2-N-[(Z)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C20H19N7OClI
Smiles	Clc(cc1)ccc1Nc1nc(N/N=C\c2cccc(I)c2)nc(N2CCOCC2)n1
InChI	InChI=1S/C20H19ClIN7O/c21-15-4-6-17(7-5-15)24-18-25-19(27-20(26-18)29-8-10-30-11-9-29)28-23-13-14-2-1-3-16(22)12-14/h1-7,12-13H,8-11H2,(H2,24,25,26,27,28)
InChIK	NGBZLGRUFHBLBI-UHFFFAOYSA-N
TotalMolweight	535.772
Molweight	535.772
MonoisotopicMass	535.038433
CLogP	6.505
CLogS	-6.768
H Acceptors	8
H Donors	2
TotalSurfaceArea	340.28
Relative PSA	0.23772
PolarSurfaceArea	87.56
Druglikeness	3.8602
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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