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

Formula:C26H19N9O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-N-(4-nitrophenyl)-2-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	4-N-(4-nitrophenyl)-2-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C26H19N9O5
Smiles	[O-][N+](c(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C\c2ccc(-c3cccc([N+]([O-])=O)c3)o2)n1)=O
InChI	InChI=1S/C26H19N9O5/c36-34(37)20-11-9-19(10-12-20)29-25-30-24(28-18-6-2-1-3-7-18)31-26(32-25)33-27-16-22-13-14-23(40-22)17-5-4-8-21(15-17)35(38)39/h1-16H,(H3,28,29,30,31,32,33)
InChIK	IGFPHPDPYTUCMF-UHFFFAOYSA-N
TotalMolweight	537.495
Molweight	537.495
MonoisotopicMass	537.150916
CLogP	5.9078
CLogS	-8.871
H Acceptors	14
H Donors	3
TotalSurfaceArea	404.75
Relative PSA	0.37986
PolarSurfaceArea	191.9
Druglikeness	-0.62811
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	2
StereoCon

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

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