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C12H9N4O2Cl | Cheminformatics
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[(E)-[amino(pyrazin-2-yl)methylidene]amino] 4-chlorobenzoate

Molecular Formula : C12H9N4O2Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
[(E)-[amino(pyrazin-2-yl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.

MolName : [(E)-[amino(pyrazin-2-yl)methylidene]amino] 4-chlorobenzoate

MolecularFormula : C12H9N4O2Cl

Smiles : N/C(/c1nccnc1)=N/OC(c(cc1)ccc1Cl)=O

InChI : InChI=1S/C12H9ClN4O2/c13-9-3-1-8(2-4-9)12(18)19-17-11(14)10-7-15-5-6-16-10/h1-7H,(H2,14,17)

InChIK : FOVGVMZNRSCFFT-UHFFFAOYSA-N

TotalMolweight : 276.682

Molweight : 276.682

MonoisotopicMass : 276.041403

CLogP : 1.7303

CLogS : -2.706

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 205.2

Relative PSA : 0.34971

PolarSurfaceArea : 90.46

Druglikeness : -2.6601

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.68421

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

Symmetricatoms : 2

Aromatic Nitrogens : 2

StereoCon :

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