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C22H20N4 | Cheminformatics

N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline

Molecular Formula : C22H20N4 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

MolName : N-[(Z)-[4-(5-phenyl-3,4-dihydropyrazol-2-yl)phenyl]methylideneamino]aniline

MolecularFormula : C22H20N4

Smiles : C(C1)C(c2ccccc2)=NN1c1ccc(/C=N\Nc2ccccc2)cc1

InChI : InChI=1S/C22H20N4/c1-3-7-19(8-4-1)22-15-16-26(25-22)21-13-11-18(12-14-21)17-23-24-20-9-5-2-6-10-20/h1-14,17,24H,15-16H2

InChIK : FIAYCSVNVQWWRY-UHFFFAOYSA-N

TotalMolweight : 340.429

Molweight : 340.429

MonoisotopicMass : 340.168796

CLogP : 6.7871

CLogS : -4.988

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 276.29

Relative PSA : 0.13765

PolarSurfaceArea : 39.99

Druglikeness : 4.7225

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 : 4

Electronegative Atoms : 4

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 2

Symmetricatoms : 6

StereoCon :

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