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C16H16N2S | Cheminformatics

2-benzyl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole

Molecular Formula : C16H16N2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : 2-benzyl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole

MolecularFormula : C16H16N2S

Smiles : C(c1ccccc1)N(CC1)N=C1/C=C/c1cccs1

InChI : InChI=1S/C16H16N2S/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 : RDXBFNBAENVQDG-UHFFFAOYSA-N

TotalMolweight : 268.383

Molweight : 268.383

MonoisotopicMass : 268.103418

CLogP : 3.4902

CLogS : -3.719

H Acceptors : 2

TotalSurfaceArea : 216.51

Relative PSA : 0.1636

PolarSurfaceArea : 43.84

Druglikeness : 5.3663

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

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

StereoCon :

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