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C11H10O3 | Cheminformatics

(3E)-3-[(3-hydroxyphenyl)methylidene]oxolan-2-one

Molecular Formula : C11H10O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (3E)-3-[(3-hydroxyphenyl)methylidene]oxolan-2-one

MolecularFormula : C11H10O3

Smiles : Oc1cccc(/C=C(\CCO2)/C2=O)c1

InChI : InChI=1S/C11H10O3/c12-10-3-1-2-8(7-10)6-9-4-5-14-11(9)13/h1-3,6-7,12H,4-5H2

InChIK : YCQYJYIJDKPOTP-UHFFFAOYSA-N

TotalMolweight : 190.197

Molweight : 190.197

MonoisotopicMass : 190.062995

CLogP : 1.3813

CLogS : -2.071

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 146.09

Relative PSA : 0.24738

PolarSurfaceArea : 46.53

Druglikeness : 0.36786

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.57143

Fragments : 1

Non HAtoms : 14

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 4

StereoCon :

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