[3-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

Formula:C27H21N7O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C27H21N7O3
Smiles	O=C(c1ccco1)Oc1cc(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1
InChI	InChI=1S/C27H21N7O3/c35-24(23-15-8-16-36-23)37-22-14-7-9-19(17-22)18-28-34-27-32-25(29-20-10-3-1-4-11-20)31-26(33-27)30-21-12-5-2-6-13-21/h1-18H,(H3,29,30,31,32,33,34)
InChIK	FUOPVUJVPIOAQW-UHFFFAOYSA-N
TotalMolweight	491.51
Molweight	491.51
MonoisotopicMass	491.170588
CLogP	7.9425
CLogS	-7.643
H Acceptors	10
H Donors	3
TotalSurfaceArea	385.16
Relative PSA	0.30104
PolarSurfaceArea	126.56
Druglikeness	2.2764
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	10
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	1
Symmetricatoms	11
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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