4-[2-[(Z)-benzylideneamino]oxyacetyl]-1,4-benzoxazepine-3,5-dione

Formula:C18H14N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-[(Z)-benzylideneamino]oxyacetyl]-1,4-benzoxazepine-3,5-dione is a drug-like molecule.

MolName4-[2-[(Z)-benzylideneamino]oxyacetyl]-1,4-benzoxazepine-3,5-dione
MolecularFormulaC18H14N2O5
SmilesO=C(CO/N=C\c1ccccc1)N(C(COc1c2cccc1)=O)C2=O
InChIInChI=1S/C18H14N2O5/c21-16-11-24-15-9-5-4-8-14(15)18(23)20(16)17(22)12-25-19-10-13-6-2-1-3-7-13/h1-10H,11-12H2
InChIKOIGOBFKFGQFIOS-UHFFFAOYSA-N
TotalMolweight338.318
Molweight338.318
MonoisotopicMass338.090273
CLogP2.6389
CLogS-3.322
H Acceptors7
TotalSurfaceArea255.35
Relative PSA0.2905
PolarSurfaceArea85.27
Druglikeness2.5485
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms25
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
Amides1
StereoCon

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