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C20H16N6O2 | Cheminformatics

(Z)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine

Molecular Formula : C20H16N6O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(Z)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName : (Z)-1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]-N-(1,2,4-triazol-4-yl)methanimine

MolecularFormula : C20H16N6O2

Smiles : C1Oc(ccc(-c(c(/C=N\n2cnnc2)c2)nn2-c2ccccc2)c2)c2OC1

InChI : InChI=1S/C20H16N6O2/c1-2-4-17(5-3-1)26-12-16(11-23-25-13-21-22-14-25)20(24-26)15-6-7-18-19(10-15)28-9-8-27-18/h1-7,10-14H,8-9H2

InChIK : RKGHNWFYFJCVEU-UHFFFAOYSA-N

TotalMolweight : 372.387

Molweight : 372.387

MonoisotopicMass : 372.133474

CLogP : 2.1261

CLogS : -6.005

H Acceptors : 8

TotalSurfaceArea : 286

Relative PSA : 0.27329

PolarSurfaceArea : 79.35

Druglikeness : -3.2488

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.46429

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 22

Sp3Atoms : 4

Symmetricatoms : 4

Aromatic Nitrogens : 5

StereoCon :

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