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

Formula:C21H27N7O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C21H27N7O2
Smiles	OC(c1ccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)=O
InChI	InChI=1S/C21H27N7O2/c29-18(30)17-9-7-16(8-10-17)15-22-26-19-23-20(27-11-3-1-4-12-27)25-21(24-19)28-13-5-2-6-14-28/h7-10,15H,1-6,11-14H2,(H,29,30)(H,23,24,25,26)
InChIK	YPUAFTHXFZBCKI-UHFFFAOYSA-N
TotalMolweight	409.492
Molweight	409.492
MonoisotopicMass	409.222623
CLogP	4.9024
CLogS	-5.332
H Acceptors	9
H Donors	2
TotalSurfaceArea	320.82
Relative PSA	0.27779
PolarSurfaceArea	106.84
Druglikeness	2.375
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
AcidicOxygens	1
StereoCon

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