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C16H10N4O2ClFS | Cheminformatics
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N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine

Molecular Formula : C16H10N4O2ClFS | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine is not a drug-like molecule.

MolName : N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(3-nitrophenyl)-1,3-thiazol-2-amine

MolecularFormula : C16H10N4O2ClFS

Smiles : [O-][N+](c1cccc(-c2csc(N/N=C/c(c(F)ccc3)c3Cl)n2)c1)=O

InChI : InChI=1S/C16H10ClFN4O2S/c17-13-5-2-6-14(18)12(13)8-19-21-16-20-15(9-25-16)10-3-1-4-11(7-10)22(23)24/h1-9H,(H,20,21)

InChIK : GFWQPGMGAGMUEM-UHFFFAOYSA-N

TotalMolweight : 376.798

Molweight : 376.798

MonoisotopicMass : 376.019701

CLogP : 5.8312

CLogS : -6.17

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 269.14

Relative PSA : 0.31478

PolarSurfaceArea : 111.34

Druglikeness : -2.5917

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.6

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

AcidicOxygens : 1

StereoCon :

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