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

Formula:C21H23N7O Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol is not a drug-like molecule.

MolName	3-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
MolecularFormula	C21H23N7O
Smiles	Oc1cc(/C=N\Nc2nc(N3CCCCC3)nc(Nc3ccccc3)n2)ccc1
InChI	InChI=1S/C21H23N7O/c29-18-11-7-8-16(14-18)15-22-27-20-24-19(23-17-9-3-1-4-10-17)25-21(26-20)28-12-5-2-6-13-28/h1,3-4,7-11,14-15,29H,2,5-6,12-13H2,(H2,23,24,25,26,27)
InChIK	MEQYXIHPRRCVLW-UHFFFAOYSA-N
TotalMolweight	389.462
Molweight	389.462
MonoisotopicMass	389.196408
CLogP	6.2802
CLogS	-5.609
H Acceptors	8
H Donors	3
TotalSurfaceArea	308.69
Relative PSA	0.27209
PolarSurfaceArea	98.56
Druglikeness	2.7918
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51724
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	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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