2-N-[(Z)-(2,3-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C21H19N8O2Cl2F Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(2,3-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-(2,3-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H19N8O2Cl2F
Smiles	[O-][N+](c(cc1/C=N\Nc2nc(N3CCCCC3)nc(Nc(cc3)ccc3F)n2)cc(Cl)c1Cl)=O
InChI	InChI=1S/C21H19Cl2FN8O2/c22-17-11-16(32(33)34)10-13(18(17)23)12-25-30-20-27-19(26-15-6-4-14(24)5-7-15)28-21(29-20)31-8-2-1-3-9-31/h4-7,10-12H,1-3,8-9H2,(H2,26,27,28,29,30)
InChIK	VRYWZAWAFCHOFW-UHFFFAOYSA-N
TotalMolweight	505.34
Molweight	505.34
MonoisotopicMass	504.099204
CLogP	6.5059
CLogS	-8.151
H Acceptors	10
H Donors	2
TotalSurfaceArea	363.2
Relative PSA	0.27894
PolarSurfaceArea	124.15
Druglikeness	-3.7187
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
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)-(2,3-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(2,3-dichloro-5-nitrophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

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