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C25H19N4O3Cl | Cheminformatics
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4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide

Molecular Formula : C25H19N4O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide is a drug-like molecule.

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

MolecularFormula : C25H19N4O3Cl

Smiles : O=C(c(cc1)ccc1Cl)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2

InChI : InChI=1S/C25H19ClN4O3/c26-20-9-6-17(7-10-20)25(31)28-27-15-19-16-30(21-4-2-1-3-5-21)29-24(19)18-8-11-22-23(14-18)33-13-12-32-22/h1-11,14-16H,12-13H2,(H,28,31)

InChIK : HHAZDYOZDUINED-UHFFFAOYSA-N

TotalMolweight : 458.904

Molweight : 458.904

MonoisotopicMass : 458.114568

CLogP : 4.7054

CLogS : -6.152

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 343.91

Relative PSA : 0.21474

PolarSurfaceArea : 77.74

Druglikeness : -1.2971

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.51515

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 8

Electronegative Atoms : 8

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