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C16H11N4O2FS | Cheminformatics

N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine

Molecular Formula : C16H11N4O2FS | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

MolName : N-[(Z)-(4-fluorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine

MolecularFormula : C16H11N4O2FS

Smiles : [O-][N+](c1cccc(-c2csc(N/N=C\c(cc3)ccc3F)n2)c1)=O

InChI : InChI=1S/C16H11FN4O2S/c17-13-6-4-11(5-7-13)9-18-20-16-19-15(10-24-16)12-2-1-3-14(8-12)21(22)23/h1-10H,(H,19,20)

InChIK : JBBNYALNXCQGST-UHFFFAOYSA-N

TotalMolweight : 342.353

Molweight : 342.353

MonoisotopicMass : 342.058674

CLogP : 5.2252

CLogS : -5.434

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 253.72

Relative PSA : 0.33391

PolarSurfaceArea : 111.34

Druglikeness : -2.6248

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Symmetricatoms : 2

Aromatic Nitrogens : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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