C18H18N2O5 | Cheminformatics

N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide

Formula:C18H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide is a drug-like molecule.

MolNameN-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
MolecularFormulaC18H18N2O5
SmilesC/C(/c(cc1)cc2c1OCO2)=N/NC(COc(cc1)ccc1OC)=O
InChIInChI=1S/C18H18N2O5/c1-12(13-3-8-16-17(9-13)25-11-24-16)19-20-18(21)10-23-15-6-4-14(22-2)5-7-15/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKHEADXBVKTCRXHA-UHFFFAOYSA-N
TotalMolweight342.35
Molweight342.35
MonoisotopicMass342.121573
CLogP2.7558
CLogS-4.59
H Acceptors7
H Donors1
TotalSurfaceArea263.74
Relative PSA0.2882
PolarSurfaceArea78.38
Druglikeness3.1543
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.68
Fragments1
Non HAtoms25
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms2
StereoCon

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