2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

Formula:C22H16N8O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C22H16N8O2Cl2
Smiles	[O-][N+](c(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C\c(ccc(Cl)c2)c2Cl)n1)=O
InChI	InChI=1S/C22H16Cl2N8O2/c23-15-7-6-14(19(24)12-15)13-25-31-22-29-20(26-16-4-2-1-3-5-16)28-21(30-22)27-17-8-10-18(11-9-17)32(33)34/h1-13H,(H3,26,27,28,29,30,31)
InChIK	KHMDVCDYZISKKE-UHFFFAOYSA-N
TotalMolweight	495.329
Molweight	495.329
MonoisotopicMass	494.077326
CLogP	7.1025
CLogS	-8.423
H Acceptors	10
H Donors	3
TotalSurfaceArea	362.47
Relative PSA	0.30132
PolarSurfaceArea	132.94
Druglikeness	-2.9201
Mutagenic	none
Tumorigenic	none
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	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine

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