2-N-[(Z)-benzylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C21H22N7F Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-benzylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-benzylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H22N7F
Smiles	Fc(cc1)ccc1Nc1nc(N2CCCCC2)nc(N/N=C\c2ccccc2)n1
InChI	InChI=1S/C21H22FN7/c22-17-9-11-18(12-10-17)24-19-25-20(28-23-15-16-7-3-1-4-8-16)27-21(26-19)29-13-5-2-6-14-29/h1,3-4,7-12,15H,2,5-6,13-14H2,(H2,24,25,26,27,28)
InChIK	WLSGCPDSUYBAHT-UHFFFAOYSA-N
TotalMolweight	391.453
Molweight	391.453
MonoisotopicMass	391.192071
CLogP	6.7267
CLogS	-6.219
H Acceptors	7
H Donors	2
TotalSurfaceArea	308.69
Relative PSA	0.22965
PolarSurfaceArea	78.33
Druglikeness	1.6278
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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