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C12H9N2O2Cl (2Z)-3-(4-chlorophenyl)-2-(1,3-oxazolidin-2-ylidene)-3-oxopropanenitrile | Chemryt

(2Z)-3-(4-chlorophenyl)-2-(1,3-oxazolidin-2-ylidene)-3-oxopropanenitrile

Molecular Formula : C12H9N2O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (2Z)-3-(4-chlorophenyl)-2-(1,3-oxazolidin-2-ylidene)-3-oxopropanenitrile

MolecularFormula : C12H9N2O2Cl

Smiles : N#C/C(/C(c(cc1)ccc1Cl)=O)=C1/OCCN1

InChI : InChI=1S/C12H9ClN2O2/c13-9-3-1-8(2-4-9)11(16)10(7-14)12-15-5-6-17-12/h1-4,15H,5-6H2

InChIK : VTQROQFKQXQTGQ-UHFFFAOYSA-N

TotalMolweight : 248.668

Molweight : 248.668

MonoisotopicMass : 248.035255

CLogP : 1.8155

CLogS : -4.552

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 186.54

Relative PSA : 0.25764

PolarSurfaceArea : 62.12

Druglikeness : -2.4145

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : polar activated DB; twice activated DB

Shape Index : 0.58824

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Symmetricatoms : 2

Request More Details | (2Z)-3-(4-chlorophenyl)-2-(1,3-oxazolidin-2-ylidene)-3-oxopropanenitrile


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