C14H16NO5Br | Cheminformatics

(2-morpholin-4-yl-2-oxoethyl) 2-(4-bromophenoxy)acetate

Formula:C14H16NO5Br Mutagenic:low Tumorigenic:none Reproductive Effective:none (2-morpholin-4-yl-2-oxoethyl) 2-(4-bromophenoxy)acetate is a drug-like molecule.

MolName(2-morpholin-4-yl-2-oxoethyl) 2-(4-bromophenoxy)acetate
MolecularFormulaC14H16NO5Br
SmilesO=C(COC(COc(cc1)ccc1Br)=O)N1CCOCC1
InChIInChI=1S/C14H16BrNO5/c15-11-1-3-12(4-2-11)20-10-14(18)21-9-13(17)16-5-7-19-8-6-16/h1-4H,5-10H2
InChIKZVXCSYSBSDOBGI-UHFFFAOYSA-N
TotalMolweight358.187
Molweight358.187
MonoisotopicMass357.021185
CLogP1.1919
CLogS-1.843
H Acceptors6
TotalSurfaceArea236.75
Relative PSA0.25187
PolarSurfaceArea65.07
Druglikeness2.0723
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.71429
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms9
Symmetricatoms4
Amides1
StereoCon

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