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C13H14N2O3 2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide | Chemryt

2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide

Molecular Formula : C13H14N2O3 | Mutagenic : high | Tumorigenic : low | Reproductive Effective : |

MolName : 2-[4-[(E)-(2-oxooxolan-3-ylidene)methyl]anilino]acetamide

MolecularFormula : C13H14N2O3

Smiles : NC(CNc1ccc(/C=C(\CCO2)/C2=O)cc1)=O

InChI : InChI=1S/C13H14N2O3/c14-12(16)8-15-11-3-1-9(2-4-11)7-10-5-6-18-13(10)17/h1-4,7,15H,5-6,8H2,(H2,14,16)

InChIK : PFUDQOOBPPLLJY-UHFFFAOYSA-N

TotalMolweight : 246.265

Molweight : 246.265

MonoisotopicMass : 246.100443

CLogP : 0.1062

CLogS : -2.278

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 191.23

Relative PSA : 0.32845

PolarSurfaceArea : 81.42

Druglikeness : 3.0606

Mutagenic : high

Tumorigenic : low

Reproductive Effective : none

Irritant : none

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

Symmetricatoms : 2

Amides : 1

Amines : 1

Aromatic Amines : 1

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