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

Formula:C21H21N7ClF Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(4-chlorophenyl)methylideneamino]-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)-(4-chlorophenyl)methylideneamino]-4-N-(4-fluorophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H21N7ClF
Smiles	Fc(cc1)ccc1Nc1nc(N/N=C\c(cc2)ccc2Cl)nc(N2CCCCC2)n1
InChI	InChI=1S/C21H21ClFN7/c22-16-6-4-15(5-7-16)14-24-29-20-26-19(25-18-10-8-17(23)9-11-18)27-21(28-20)30-12-2-1-3-13-30/h4-11,14H,1-3,12-13H2,(H2,25,26,27,28,29)
InChIK	ATUXJZYBMYSJSN-UHFFFAOYSA-N
TotalMolweight	425.898
Molweight	425.898
MonoisotopicMass	425.153098
CLogP	7.3327
CLogS	-6.955
H Acceptors	7
H Donors	2
TotalSurfaceArea	324.11
Relative PSA	0.21872
PolarSurfaceArea	78.33
Druglikeness	1.6048
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56667
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	5
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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