[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
Formula:C13H9N5O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate is a drug-like molecule.
| MolName | [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate |
| MolecularFormula | C13H9N5O3ClF3 |
| Smiles | N/C(/c1nccnc1Cl)=N/OC(Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C13H9ClF3N5O3/c14-10-9(19-5-6-20-10)11(18)22-25-12(23)21-7-1-3-8(4-2-7)24-13(15,16)17/h1-6H,(H2,18,22)(H,21,23) |
| InChIK | SAEBXSJGBZGISQ-UHFFFAOYSA-N |
| TotalMolweight | 375.693 |
| Molweight | 375.693 |
| MonoisotopicMass | 375.034601 |
| CLogP | 2.9206 |
| CLogS | -4.008 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 256.12 |
| Relative PSA | 0.36397 |
| PolarSurfaceArea | 111.72 |
| Druglikeness | -13.646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate | 2 - [(E)-[amino-(3-chloropyrazin-2-yl)methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
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