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

Formula:C20H20N7O2Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol is not a drug-like molecule.

MolName	3-[(Z)-[[4-(3-bromoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
MolecularFormula	C20H20N7O2Br
Smiles	Oc1cccc(/C=N\Nc2nc(Nc3cccc(Br)c3)nc(N3CCOCC3)n2)c1
InChI	InChI=1S/C20H20BrN7O2/c21-15-4-2-5-16(12-15)23-18-24-19(26-20(25-18)28-7-9-30-10-8-28)27-22-13-14-3-1-6-17(29)11-14/h1-6,11-13,29H,7-10H2,(H2,23,24,25,26,27)
InChIK	BWJBQDAYFFFTDG-UHFFFAOYSA-N
TotalMolweight	470.33
Molweight	470.33
MonoisotopicMass	469.086184
CLogP	5.8414
CLogS	-5.554
H Acceptors	9
H Donors	3
TotalSurfaceArea	323.56
Relative PSA	0.29049
PolarSurfaceArea	107.79
Druglikeness	1.6053
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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