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C17H16N3O5ClS | Cheminformatics

(NE)-2-chloro-N-[morpholin-4-yl(phenyl)methylidene]-5-nitrobenzenesulfonamide

Molecular Formula : C17H16N3O5ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(NE)-2-chloro-N-[morpholin-4-yl(phenyl)methylidene]-5-nitrobenzenesulfonamide is a drug-like molecule.

MolName : (NE)-2-chloro-N-[morpholin-4-yl(phenyl)methylidene]-5-nitrobenzenesulfonamide

MolecularFormula : C17H16N3O5ClS

Smiles : [O-][N+](c(cc1)cc(S(/N=C(\c2ccccc2)/N2CCOCC2)(=O)=O)c1Cl)=O

InChI : InChI=1S/C17H16ClN3O5S/c18-15-7-6-14(21(22)23)12-16(15)27(24,25)19-17(13-4-2-1-3-5-13)20-8-10-26-11-9-20/h1-7,12H,8-11H2

InChIK : GZBQCGZTSDKLPY-UHFFFAOYSA-N

TotalMolweight : 409.849

Molweight : 409.849

MonoisotopicMass : 409.049919

CLogP : 1.9228

CLogS : -3.614

H Acceptors : 8

TotalSurfaceArea : 285.5

Relative PSA : 0.29443

PolarSurfaceArea : 113.17

Druglikeness : -3.9919

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.44444

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 5

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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