N-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C20H26N7Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolNameN-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormulaC20H26N7Cl
SmilesClc1c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cccc1
InChIInChI=1S/C20H26ClN7/c21-17-10-4-3-9-16(17)15-22-26-18-23-19(27-11-5-1-6-12-27)25-20(24-18)28-13-7-2-8-14-28/h3-4,9-10,15H,1-2,5-8,11-14H2,(H,23,24,25,26)
InChIKCUXWFAAHFVTXKF-UHFFFAOYSA-N
TotalMolweight399.928
Molweight399.928
MonoisotopicMass399.19382
CLogP6.5345
CLogS-6.055
H Acceptors7
H Donors1
TotalSurfaceArea312.14
Relative PSA0.20177
PolarSurfaceArea69.54
Druglikeness2.8442
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms10
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

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