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C25H20N4O6 | Cheminformatics
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N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

Molecular Formula : C25H20N4O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName : N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide

MolecularFormula : C25H20N4O6

Smiles : [O-][N+](c1ccc(/C=C(\C(N/N=C\c(cc2)cc3c2OCCO3)=O)/NC(c2ccccc2)=O)cc1)=O

InChI : InChI=1S/C25H20N4O6/c30-24(19-4-2-1-3-5-19)27-21(14-17-6-9-20(10-7-17)29(32)33)25(31)28-26-16-18-8-11-22-23(15-18)35-13-12-34-22/h1-11,14-16H,12-13H2,(H,27,30)(H,28,31)

InChIK : RZYCQZHRCLXHID-UHFFFAOYSA-N

TotalMolweight : 472.456

Molweight : 472.456

MonoisotopicMass : 472.138286

CLogP : 3.8755

CLogS : -6.108

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 358.36

Relative PSA : 0.30955

PolarSurfaceArea : 134.84

Druglikeness : -5.8232

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.51429

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 5

Symmetricatoms : 4

Amides : 1

AcidicOxygens : 1

StereoCon :

Click to Load Molecule:
1 - N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
2 - N-[(E)-3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
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