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C19H14N4O2S | Cheminformatics

4-[(Z)-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzonitrile

Molecular Formula : C19H14N4O2S | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
4-[(Z)-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzonitrile is not a drug-like molecule.

MolName : 4-[(Z)-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzonitrile

MolecularFormula : C19H14N4O2S

Smiles : N#Cc1ccc(/C=N\Nc2nc(-c(cc3)cc4c3OCCO4)cs2)cc1

InChI : InChI=1S/C19H14N4O2S/c20-10-13-1-3-14(4-2-13)11-21-23-19-22-16(12-26-19)15-5-6-17-18(9-15)25-8-7-24-17/h1-6,9,11-12H,7-8H2,(H,22,23)

InChIK : XLHUJNQZAPSLSH-UHFFFAOYSA-N

TotalMolweight : 362.412

Molweight : 362.412

MonoisotopicMass : 362.083746

CLogP : 6.0308

CLogS : -5.615

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 279.43

Relative PSA : 0.31443

PolarSurfaceArea : 107.77

Druglikeness : -7.6495

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.69231

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 4

Symmetricatoms : 2

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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