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C24H20N4O2 | Cheminformatics
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N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline

Molecular Formula : C24H20N4O2 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]aniline is not a drug-like molecule.

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

MolecularFormula : C24H20N4O2

Smiles : C1Oc(ccc(-c(c(/C=N\Nc2ccccc2)c2)nn2-c2ccccc2)c2)c2OC1

InChI : InChI=1S/C24H20N4O2/c1-3-7-20(8-4-1)26-25-16-19-17-28(21-9-5-2-6-10-21)27-24(19)18-11-12-22-23(15-18)30-14-13-29-22/h1-12,15-17,26H,13-14H2

InChIK : LYZVTZAYCIZXAQ-UHFFFAOYSA-N

TotalMolweight : 396.449

Molweight : 396.449

MonoisotopicMass : 396.158626

CLogP : 5.7387

CLogS : -4.844

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 310.74

Relative PSA : 0.19569

PolarSurfaceArea : 60.67

Druglikeness : -3.3594

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.5

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 23

Sp3Atoms : 4

Symmetricatoms : 4

Aromatic Nitrogens : 2

StereoCon :

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