3-[(Z)-[[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

Formula:C21H22N7OF Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[(Z)-[[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is not a drug-like molecule.

MolName	3-[(Z)-[[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
MolecularFormula	C21H22N7OF
Smiles	Oc1cccc(/C=N\Nc2nc(Nc(cc3)ccc3F)nc(N3CCCCC3)n2)c1
InChI	InChI=1S/C21H22FN7O/c22-16-7-9-17(10-8-16)24-19-25-20(27-21(26-19)29-11-2-1-3-12-29)28-23-14-15-5-4-6-18(30)13-15/h4-10,13-14,30H,1-3,11-12H2,(H2,24,25,26,27,28)
InChIK	OWTSNJVRUONOGR-UHFFFAOYSA-N
TotalMolweight	407.452
Molweight	407.452
MonoisotopicMass	407.186986
CLogP	6.381
CLogS	-5.923
H Acceptors	8
H Donors	3
TotalSurfaceArea	315.04
Relative PSA	0.2666
PolarSurfaceArea	98.56
Druglikeness	1.4518
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
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	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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