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C17H17N5O3ClF3S | Cheminformatics
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N'-(benzenesulfonyl)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]morpholine-4-carboximidamide

Molecular Formula : C17H17N5O3ClF3S | Mutagenic : none | Tumorigenic : high | Reproductive Effective : low |
N'-(benzenesulfonyl)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]morpholine-4-carboximidamide is a drug-like molecule.

MolName : N'-(benzenesulfonyl)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]morpholine-4-carboximidamide

MolecularFormula : C17H17N5O3ClF3S

Smiles : O=S(c1ccccc1)(/N=C(/NNc(ncc(C(F)(F)F)c1)c1Cl)\N1CCOCC1)=O

InChI : InChI=1S/C17H17ClF3N5O3S/c18-14-10-12(17(19,20)21)11-22-15(14)23-24-16(26-6-8-29-9-7-26)25-30(27,28)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H,22,23)(H,24,25)

InChIK : KYWSNCFSECYWNB-UHFFFAOYSA-N

TotalMolweight : 463.867

Molweight : 463.867

MonoisotopicMass : 463.069271

CLogP : 3.785

CLogS : -3.788

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 312.97

Relative PSA : 0.27968

PolarSurfaceArea : 104.3

Druglikeness : -11.24

Mutagenic : none

Tumorigenic : high

Reproductive Effective : low

Irritant : high

Nasty Functions :

Shape Index : 0.5

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 7

Aromatic Nitrogens : 1

BasicNitrogens : 2

StereoCon :

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1 - N'-(benzenesulfonyl)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]morpholine-4-carboximidamide
2 - N'-(benzenesulfonyl)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]morpholine-4-carboximidamide
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