2-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

Formula:C22H21N8O3Br Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
MolecularFormula	C22H21N8O3Br
Smiles	[O-][N+](c1cccc(Nc2nc(N/N=C\C(\Br)=C\c3ccccc3)nc(N3CCOCC3)n2)c1)=O
InChI	InChI=1S/C22H21BrN8O3/c23-17(13-16-5-2-1-3-6-16)15-24-29-21-26-20(25-18-7-4-8-19(14-18)31(32)33)27-22(28-21)30-9-11-34-12-10-30/h1-8,13-15H,9-12H2,(H2,25,26,27,28,29)
InChIK	RIAGLWOOQUYULL-UHFFFAOYSA-N
TotalMolweight	525.366
Molweight	525.366
MonoisotopicMass	524.091998
CLogP	4.64
CLogS	-6.601
H Acceptors	11
H Donors	2
TotalSurfaceArea	365.59
Relative PSA	0.30447
PolarSurfaceArea	133.38
Druglikeness	-6.8305
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

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