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C16H16N2O 2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole | Chemryt

2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole

Molecular Formula : C16H16N2O | Mutagenic : high | Tumorigenic : none | Reproductive Effective : |

MolName : 2-benzyl-5-[(E)-2-(furan-2-yl)ethenyl]-3,4-dihydropyrazole

MolecularFormula : C16H16N2O

Smiles : C(c1ccccc1)N(CC1)N=C1/C=C/c1ccco1

InChI : InChI=1S/C16H16N2O/c1-2-5-14(6-3-1)13-18-11-10-15(17-18)8-9-16-7-4-12-19-16/h1-9,12H,10-11,13H2

InChIK : TZJJEWQIWXRFAJ-UHFFFAOYSA-N

TotalMolweight : 252.316

Molweight : 252.316

MonoisotopicMass : 252.126263

CLogP : 2.8123

CLogS : -3.391

H Acceptors : 3

TotalSurfaceArea : 210.26

Relative PSA : 0.13873

PolarSurfaceArea : 28.74

Druglikeness : 3.4531

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.68421

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 4

Symmetricatoms : 2

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