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

Formula:C27H24N7O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C27H24N7O3Cl
Smiles	O=C(c(cc1)ccc1Cl)Oc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(Nc3ccccc3)n2)cc1
InChI	InChI=1S/C27H24ClN7O3/c28-21-10-8-20(9-11-21)24(36)38-23-12-6-19(7-13-23)18-29-34-26-31-25(30-22-4-2-1-3-5-22)32-27(33-26)35-14-16-37-17-15-35/h1-13,18H,14-17H2,(H2,30,31,32,33,34)
InChIK	OBNRKAUZMKGNGY-UHFFFAOYSA-N
TotalMolweight	529.987
Molweight	529.987
MonoisotopicMass	529.162915
CLogP	7.4984
CLogS	-7.222
H Acceptors	10
H Donors	2
TotalSurfaceArea	401.51
Relative PSA	0.25885
PolarSurfaceArea	113.86
Druglikeness	3.2194
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	8
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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