[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C12H9N5O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C12H9N5O2Cl2 |
| Smiles | N/C(/c1nccnc1Cl)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C12H9Cl2N5O2/c13-7-1-3-8(4-2-7)18-12(20)21-19-11(15)9-10(14)17-6-5-16-9/h1-6H,(H2,15,19)(H,18,20) |
| InChIK | AYUNXFOUFITVSQ-UHFFFAOYSA-N |
| TotalMolweight | 326.142 |
| Molweight | 326.142 |
| MonoisotopicMass | 325.013329 |
| CLogP | 2.4276 |
| CLogS | -3.721 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 232.08 |
| Relative PSA | 0.35858 |
| PolarSurfaceArea | 102.49 |
| Druglikeness | -5.6509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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