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

Formula:C23H19N8O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-N-benzyl-2-N-[(Z)-(4-chlorophenyl)methylideneamino]-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	6-N-benzyl-2-N-[(Z)-(4-chlorophenyl)methylideneamino]-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C23H19N8O2Cl
Smiles	[O-][N+](c(cc1)ccc1Nc1nc(NCc2ccccc2)nc(N/N=C\c(cc2)ccc2Cl)n1)=O
InChI	InChI=1S/C23H19ClN8O2/c24-18-8-6-17(7-9-18)15-26-31-23-29-21(25-14-16-4-2-1-3-5-16)28-22(30-23)27-19-10-12-20(13-11-19)32(33)34/h1-13,15H,14H2,(H3,25,27,28,29,30,31)
InChIK	CZQPHVYGFJJWLC-UHFFFAOYSA-N
TotalMolweight	474.911
Molweight	474.911
MonoisotopicMass	474.131949
CLogP	6.0312
CLogS	-7.492
H Acceptors	10
H Donors	3
TotalSurfaceArea	360.81
Relative PSA	0.30271
PolarSurfaceArea	132.94
Druglikeness	-2.4788
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	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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

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