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C16H12N2O3 (5E)-5-(7-formyl-2,3-dihydropyrrolizin-1-ylidene)-6-oxo-7H-pyrrolizine-1-carbaldehyde | Chemryt

(5E)-5-(7-formyl-2,3-dihydropyrrolizin-1-ylidene)-6-oxo-7H-pyrrolizine-1-carbaldehyde

Molecular Formula : C16H12N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (5E)-5-(7-formyl-2,3-dihydropyrrolizin-1-ylidene)-6-oxo-7H-pyrrolizine-1-carbaldehyde

MolecularFormula : C16H12N2O3

Smiles : O=Cc(cc1)c(CC2=O)n1/C2=C1/c2c(C=O)ccn2CC1

InChI : InChI=1S/C16H12N2O3/c19-8-10-2-6-18-13(10)7-14(21)16(18)12-3-5-17-4-1-11(9-20)15(12)17/h1-2,4,6,8-9H,3,5,7H2

InChIK : BXOWHEKNVJRUHZ-UHFFFAOYSA-N

TotalMolweight : 280.282

Molweight : 280.282

MonoisotopicMass : 280.084793

CLogP : 1.9821

CLogS : -1.662

H Acceptors : 5

TotalSurfaceArea : 205.45

Relative PSA : 0.25729

PolarSurfaceArea : 61.07

Druglikeness : 1.2312

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.52381

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 10

Sp3Atoms : 3

Aromatic Nitrogens : 2

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