2-[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1-morpholin-4-ylethanone

Formula:C15H16N5O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1-morpholin-4-ylethanone is a drug-like molecule.

MolName	2-[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1-morpholin-4-ylethanone
MolecularFormula	C15H16N5O3Br
Smiles	O=C(COc(ccc(/C=N\n1cnnc1)c1)c1Br)N1CCOCC1
InChI	InChI=1S/C15H16BrN5O3/c16-13-7-12(8-19-21-10-17-18-11-21)1-2-14(13)24-9-15(22)20-3-5-23-6-4-20/h1-2,7-8,10-11H,3-6,9H2
InChIK	DJDQVLPMCGCJLV-UHFFFAOYSA-N
TotalMolweight	394.228
Molweight	394.228
MonoisotopicMass	393.043651
CLogP	1.2027
CLogS	-4.634
H Acceptors	8
TotalSurfaceArea	266.48
Relative PSA	0.28861
PolarSurfaceArea	81.84
Druglikeness	3.7133
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1-morpholin-4-ylethanone | 2 - 2-[2-bromo-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]-1-morpholin-4-ylethanone

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