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

Formula:C25H26N7O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C25H26N7O4Cl
Smiles	O=C(c(cc1)ccc1Cl)Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChI	InChI=1S/C25H26ClN7O4/c26-20-5-3-19(4-6-20)22(34)37-21-7-1-18(2-8-21)17-27-31-23-28-24(32-9-13-35-14-10-32)30-25(29-23)33-11-15-36-16-12-33/h1-8,17H,9-16H2,(H,28,29,30,31)
InChIK	CEANXMYZHUXAEW-UHFFFAOYSA-N
TotalMolweight	523.979
Molweight	523.979
MonoisotopicMass	523.17348
CLogP	5.637
CLogS	-5.747
H Acceptors	11
H Donors	1
TotalSurfaceArea	392.13
Relative PSA	0.27037
PolarSurfaceArea	114.3
Druglikeness	3.0759
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56757
Fragments	1
Non HAtoms	37
NonCHAtoms	12
Electronegative Atoms	12
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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