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C22H18N2O4 (2-oxooxolan-3-yl) (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate | Chemryt

(2-oxooxolan-3-yl) (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate

Molecular Formula : C22H18N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : (2-oxooxolan-3-yl) (E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate

MolecularFormula : C22H18N2O4

Smiles : O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)OC(CCO1)C1=O

InChI : InChI=1S/C22H18N2O4/c25-20(28-19-13-14-27-22(19)26)12-11-17-15-24(18-9-5-2-6-10-18)23-21(17)16-7-3-1-4-8-16/h1-12,15,19H,13-14H2/t19-/m0/s1

InChIK : BCUMBRIPAGXSDX-IBGZPJMESA-N

TotalMolweight : 374.395

Molweight : 374.395

MonoisotopicMass : 374.126658

CLogP : 2.3043

CLogS : -4.037

H Acceptors : 6

TotalSurfaceArea : 289.26

Relative PSA : 0.22098

PolarSurfaceArea : 70.42

Druglikeness : 1.0008

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.5

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 1

Rotatable Bond : 6

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 5

Symmetricatoms : 4

Aromatic Nitrogens : 2

StereoCon : racemate

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