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C25H22N3O5Cl | Cheminformatics
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N-[2-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Molecular Formula : C25H22N3O5Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[2-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.

MolName : N-[2-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

MolecularFormula : C25H22N3O5Cl

Smiles : O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\c(cc1)ccc1OCc(cccc1)c1Cl

InChI : InChI=1S/C25H22ClN3O5/c26-21-4-2-1-3-19(21)16-34-20-8-5-17(6-9-20)14-28-29-24(30)15-27-25(31)18-7-10-22-23(13-18)33-12-11-32-22/h1-10,13-14H,11-12,15-16H2,(H,27,31)(H,29,30)

InChIK : BWMHVUPQMKIEJX-UHFFFAOYSA-N

TotalMolweight : 479.919

Molweight : 479.919

MonoisotopicMass : 479.124799

CLogP : 4.2182

CLogS : -5.747

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 362.92

Relative PSA : 0.24939

PolarSurfaceArea : 98.25

Druglikeness : -1.8156

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.67647

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 8

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 2

Amides : 1

StereoCon :

Click to Load Molecule:
1 - N-[2-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
2 - N-[2-[(2Z)-2-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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