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

Formula:C23H25N7O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high [3-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C23H25N7O3
Smiles	O=C(c1ccco1)Oc1cc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1
InChI	InChI=1S/C23H25N7O3/c31-20(19-9-6-14-32-19)33-18-8-5-7-17(15-18)16-24-28-21-25-22(29-10-1-2-11-29)27-23(26-21)30-12-3-4-13-30/h5-9,14-16H,1-4,10-13H2,(H,25,26,27,28)
InChIK	BQLPZBDQGCEZRC-UHFFFAOYSA-N
TotalMolweight	447.498
Molweight	447.498
MonoisotopicMass	447.201888
CLogP	5.8637
CLogS	-5.931
H Acceptors	10
H Donors	1
TotalSurfaceArea	346.4
Relative PSA	0.28906
PolarSurfaceArea	108.98
Druglikeness	3.8375
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	9
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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