4,6-bis(azepan-1-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3,5-triazin-2-amine

Formula:C22H29N7Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4,6-bis(azepan-1-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	4,6-bis(azepan-1-yl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,3,5-triazin-2-amine
MolecularFormula	C22H29N7Cl2
Smiles	Clc1cc(Cl)c(/C=N\Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)cc1
InChI	InChI=1S/C22H29Cl2N7/c23-18-10-9-17(19(24)15-18)16-25-29-20-26-21(30-11-5-1-2-6-12-30)28-22(27-20)31-13-7-3-4-8-14-31/h9-10,15-16H,1-8,11-14H2,(H,26,27,28,29)
InChIK	HVPPRERXBHUSJN-UHFFFAOYSA-N
TotalMolweight	462.427
Molweight	462.427
MonoisotopicMass	461.186147
CLogP	7.8245
CLogS	-7.331
H Acceptors	7
H Donors	1
TotalSurfaceArea	355.08
Relative PSA	0.17737
PolarSurfaceArea	69.54
Druglikeness	0.29671
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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