[4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C27H31N7O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C27H31N7O2
Smiles	O=C(c1ccccc1)Oc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChI	InChI=1S/C27H31N7O2/c35-24(22-10-4-1-5-11-22)36-23-14-12-21(13-15-23)20-28-32-25-29-26(33-16-6-2-7-17-33)31-27(30-25)34-18-8-3-9-19-34/h1,4-5,10-15,20H,2-3,6-9,16-19H2,(H,29,30,31,32)
InChIK	LCJFRKGWIYONOV-UHFFFAOYSA-N
TotalMolweight	485.59
Molweight	485.59
MonoisotopicMass	485.253923
CLogP	7.359
CLogS	-6.789
H Acceptors	9
H Donors	1
TotalSurfaceArea	384.23
Relative PSA	0.22388
PolarSurfaceArea	95.84
Druglikeness	2.1862
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	14
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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