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C15H24O3 | Cheminformatics

(3Z)-3-[9-(oxiran-2-yl)nonylidene]oxolan-2-one

Molecular Formula : C15H24O3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |

MolName : (3Z)-3-[9-(oxiran-2-yl)nonylidene]oxolan-2-one

MolecularFormula : C15H24O3

Smiles : O=C1OCC/C1=C/CCCCCCCCC1OC1

InChI : InChI=1S/C15H24O3/c16-15-13(10-11-17-15)8-6-4-2-1-3-5-7-9-14-12-18-14/h8,14H,1-7,9-12H2/t14-/m0/s1

InChIK : FIOSIWSWQHCRDF-AWEZNQCLSA-N

TotalMolweight : 252.353

Molweight : 252.353

MonoisotopicMass : 252.172545

CLogP : 3.4553

CLogS : -3.144

H Acceptors : 3

TotalSurfaceArea : 220.47

Relative PSA : 0.18456

PolarSurfaceArea : 38.83

Druglikeness : -8.735

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : high

Nasty Functions : oxiran/aziridine

Shape Index : 0.77778

Fragments : 1

Non HAtoms : 18

NonCHAtoms : 3

Electronegative Atoms : 3

StereoCenters : 1

Rotatable Bond : 9

Rings Closures : 2

Small Rings : 2

Sp3Atoms : 14

StereoCon : racemate

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