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C25H18N4O2 | Cheminformatics
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(Z)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile

Molecular Formula : C25H18N4O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile is a drug-like molecule.

MolName : (Z)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile

MolecularFormula : C25H18N4O2

Smiles : N#C/C(/c1ncccc1)=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2

InChI : InChI=1S/C25H18N4O2/c26-16-19(22-8-4-5-11-27-22)14-20-17-29(21-6-2-1-3-7-21)28-25(20)18-9-10-23-24(15-18)31-13-12-30-23/h1-11,14-15,17H,12-13H2

InChIK : SADOHPTVHIDREZ-UHFFFAOYSA-N

TotalMolweight : 406.444

Molweight : 406.444

MonoisotopicMass : 406.142976

CLogP : 3.2835

CLogS : -4.553

H Acceptors : 6

TotalSurfaceArea : 319.7

Relative PSA : 0.19509

PolarSurfaceArea : 72.96

Druglikeness : -8.9308

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.45161

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 23

Sp3Atoms : 4

Symmetricatoms : 2

Aromatic Nitrogens : 3

StereoCon :

Click to Load Molecule:
1 - (Z)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile
2 - (Z)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-2-pyridin-2-ylprop-2-enenitrile
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