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

Formula:C27H30N7O2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C27H30N7O2Cl
Smiles	O=C(c(cccc1)c1Cl)Oc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChI	InChI=1S/C27H30ClN7O2/c28-23-10-4-3-9-22(23)24(36)37-21-13-11-20(12-14-21)19-29-33-25-30-26(34-15-5-1-6-16-34)32-27(31-25)35-17-7-2-8-18-35/h3-4,9-14,19H,1-2,5-8,15-18H2,(H,30,31,32,33)
InChIK	LLRYXCUAOWAPAQ-UHFFFAOYSA-N
TotalMolweight	520.035
Molweight	520.035
MonoisotopicMass	519.21495
CLogP	7.965
CLogS	-7.525
H Acceptors	9
H Donors	1
TotalSurfaceArea	399.65
Relative PSA	0.21524
PolarSurfaceArea	95.84
Druglikeness	2.2204
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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