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C14H11N5O2BrF3S | Cheminformatics
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2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide

Molecular Formula : C14H11N5O2BrF3S | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide is a drug-like molecule.

MolName : 2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide

MolecularFormula : C14H11N5O2BrF3S

Smiles : NNC(c1csc(N/N=C(/CC(c(cc2)ccc2Br)=O)\C(F)(F)F)n1)=O

InChI : InChI=1S/C14H11BrF3N5O2S/c15-8-3-1-7(2-4-8)10(24)5-11(14(16,17)18)22-23-13-20-9(6-26-13)12(25)21-19/h1-4,6H,5,19H2,(H,20,23)(H,21,25)

InChIK : UKISRPPFONPDDI-UHFFFAOYSA-N

TotalMolweight : 450.238

Molweight : 450.238

MonoisotopicMass : 448.97689

CLogP : 3.8466

CLogS : -5.398

H Acceptors : 7

H Donors : 3

TotalSurfaceArea : 279.48

Relative PSA : 0.38325

PolarSurfaceArea : 137.71

Druglikeness : -14.773

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : hydrazine

Shape Index : 0.61538

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 7

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 3

Symmetricatoms : 4

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - 2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide
2 - 2-[(2Z)-2-[4-(4-bromophenyl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]hydrazinyl]-1,3-thiazole-4-carbohydrazide
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