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C11H7N4O4ClS | Cheminformatics
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[(Z)-[amino-(5-nitro-1,3-thiazol-2-yl)methylidene]amino] 4-chlorobenzoate

Molecular Formula : C11H7N4O4ClS | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
[(Z)-[amino-(5-nitro-1,3-thiazol-2-yl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.

MolName : [(Z)-[amino-(5-nitro-1,3-thiazol-2-yl)methylidene]amino] 4-chlorobenzoate

MolecularFormula : C11H7N4O4ClS

Smiles : N/C(/c1ncc([N+]([O-])=O)s1)=N\OC(c(cc1)ccc1Cl)=O

InChI : InChI=1S/C11H7ClN4O4S/c12-7-3-1-6(2-4-7)11(17)20-15-9(13)10-14-5-8(21-10)16(18)19/h1-5H,(H2,13,15)

InChIK : DWTASHGCZIDBGZ-UHFFFAOYSA-N

TotalMolweight : 326.72

Molweight : 326.72

MonoisotopicMass : 325.987653

CLogP : 1.7762

CLogS : -3.912

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 226.05

Relative PSA : 0.49356

PolarSurfaceArea : 151.63

Druglikeness : -6.1173

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 2

Aromatic Nitrogens : 1

AcidicOxygens : 1

StereoCon :

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