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

Formula:C27H30N7O2I Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 3-iodobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] 3-iodobenzoate
MolecularFormula	C27H30N7O2I
Smiles	O=C(c1cccc(I)c1)Oc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
InChI	InChI=1S/C27H30IN7O2/c28-22-9-7-8-21(18-22)24(36)37-23-12-10-20(11-13-23)19-29-33-25-30-26(34-14-3-1-4-15-34)32-27(31-25)35-16-5-2-6-17-35/h7-13,18-19H,1-6,14-17H2,(H,30,31,32,33)
InChIK	YPZDXINFQWICDK-UHFFFAOYSA-N
TotalMolweight	611.482
Molweight	611.482
MonoisotopicMass	611.150571
CLogP	7.7961
CLogS	-7.805
H Acceptors	9
H Donors	1
TotalSurfaceArea	410.51
Relative PSA	0.20954
PolarSurfaceArea	95.84
Druglikeness	2.6048
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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