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C17H11N4O2F3S | Cheminformatics
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4-(3-nitrophenyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine

Molecular Formula : C17H11N4O2F3S | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
4-(3-nitrophenyl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.

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

MolecularFormula : C17H11N4O2F3S

Smiles : [O-][N+](c1cccc(-c2csc(N/N=C\c3ccc(C(F)(F)F)cc3)n2)c1)=O

InChI : InChI=1S/C17H11F3N4O2S/c18-17(19,20)13-6-4-11(5-7-13)9-21-23-16-22-15(10-27-16)12-2-1-3-14(8-12)24(25)26/h1-10H,(H,22,23)

InChIK : MSJJHURCZMGUJO-UHFFFAOYSA-N

TotalMolweight : 392.36

Molweight : 392.36

MonoisotopicMass : 392.05548

CLogP : 5.9727

CLogS : -5.898

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 276.83

Relative PSA : 0.30604

PolarSurfaceArea : 111.34

Druglikeness : -8.4748

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.62963

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 2

Symmetricatoms : 4

Aromatic Nitrogens : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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