N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C22H28N8O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C22H28N8O2
Smiles	[O-][N+](c1cc(/C=C/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1)=O
InChI	InChI=1S/C22H28N8O2/c31-30(32)19-11-7-9-18(17-19)10-8-12-23-27-20-24-21(28-13-3-1-4-14-28)26-22(25-20)29-15-5-2-6-16-29/h7-12,17H,1-6,13-16H2,(H,24,25,26,27)
InChIK	KROULYOFMVVKLT-UHFFFAOYSA-N
TotalMolweight	436.518
Molweight	436.518
MonoisotopicMass	436.233522
CLogP	4.514
CLogS	-6.071
H Acceptors	10
H Donors	1
TotalSurfaceArea	346.89
Relative PSA	0.26925
PolarSurfaceArea	115.36
Druglikeness	-2.5234
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	10
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

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