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C7H8O3 | Cheminformatics
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(3Z)-3-(oxiran-2-ylmethylidene)oxolan-2-one

Molecular Formula : C7H8O3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(3Z)-3-(oxiran-2-ylmethylidene)oxolan-2-one is a drug-like molecule.

MolName : (3Z)-3-(oxiran-2-ylmethylidene)oxolan-2-one

MolecularFormula : C7H8O3

Smiles : O=C1OCC/C1=C/C1OC1

InChI : InChI=1S/C7H8O3/c8-7-5(1-2-9-7)3-6-4-10-6/h3,6H,1-2,4H2/t6-/m1/s1

InChIK : GGDFWICLZVXAER-ZCFIWIBFSA-N

TotalMolweight : 140.138

Molweight : 140.138

MonoisotopicMass : 140.047345

CLogP : -0.1799

CLogS : -0.984

H Acceptors : 3

TotalSurfaceArea : 110.39

Relative PSA : 0.3686

PolarSurfaceArea : 38.83

Druglikeness : -2.8295

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

Nasty Functions : oxiran/aziridine

Shape Index : 0.6

Fragments : 1

Non HAtoms : 10

NonCHAtoms : 3

Electronegative Atoms : 3

StereoCenters : 1

Rotatable Bond : 1

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 6

StereoCon : racemate

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