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C16H9N3O3F2S | Cheminformatics
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(E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Molecular Formula : C16H9N3O3F2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName : (E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

MolecularFormula : C16H9N3O3F2S

Smiles : [O-][N+](c1cccc(/C=C/C(Nc2nc(c(F)cc(F)c3)c3s2)=O)c1)=O

InChI : InChI=1S/C16H9F2N3O3S/c17-10-7-12(18)15-13(8-10)25-16(20-15)19-14(22)5-4-9-2-1-3-11(6-9)21(23)24/h1-8H,(H,19,20,22)

InChIK : QYNHMSKTEXFTQZ-UHFFFAOYSA-N

TotalMolweight : 361.327

Molweight : 361.327

MonoisotopicMass : 361.033268

CLogP : 3.2187

CLogS : -5.553

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 254.4

Relative PSA : 0.33903

PolarSurfaceArea : 116.05

Druglikeness : -6.2426

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.6

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 1

Amides : 1

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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