3-[(Z)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

Formula:C21H28N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is not a drug-like molecule.

MolName	3-[(Z)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
MolecularFormula	C21H28N6O
Smiles	Oc1cc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)c2)ccc1
InChI	InChI=1S/C21H28N6O/c28-18-9-7-8-17(14-18)16-22-25-19-15-20(26-10-3-1-4-11-26)24-21(23-19)27-12-5-2-6-13-27/h7-9,14-16,28H,1-6,10-13H2,(H,23,24,25)
InChIK	RPUOELWTBREXST-UHFFFAOYSA-N
TotalMolweight	380.494
Molweight	380.494
MonoisotopicMass	380.232459
CLogP	5.6703
CLogS	-5.154
H Acceptors	7
H Donors	2
TotalSurfaceArea	304.31
Relative PSA	0.21396
PolarSurfaceArea	76.88
Druglikeness	2.6841
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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