4-[(E)-2-phenylethenyl]sulfonyl-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine

Formula:C21H22N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-phenylethenyl]sulfonyl-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine is a drug-like molecule.

MolName	4-[(E)-2-phenylethenyl]sulfonyl-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine
MolecularFormula	C21H22N4O4S
Smiles	O=S(/C=C/c1ccccc1)(N1CC(COc(cc2)ccc2-n2ncnc2)OCC1)=O
InChI	InChI=1S/C21H22N4O4S/c26-30(27,13-10-18-4-2-1-3-5-18)24-11-12-28-21(14-24)15-29-20-8-6-19(7-9-20)25-17-22-16-23-25/h1-10,13,16-17,21H,11-12,14-15H2/t21-/m1/s1
InChIK	NZHKKSRXDAYNCG-OAQYLSRUSA-N
TotalMolweight	426.496
Molweight	426.496
MonoisotopicMass	426.136176
CLogP	1.6168
CLogS	-3.692
H Acceptors	8
TotalSurfaceArea	318.92
Relative PSA	0.25379
PolarSurfaceArea	94.93
Druglikeness	5.3255
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

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