N-[(E)-[amino-(6-chloro-2-oxochromen-3-yl)methylidene]amino]thiophene-2-carboxamide
Formula:C15H10N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[amino-(6-chloro-2-oxochromen-3-yl)methylidene]amino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[amino-(6-chloro-2-oxochromen-3-yl)methylidene]amino]thiophene-2-carboxamide |
| MolecularFormula | C15H10N3O3ClS |
| Smiles | N/C(/C1=Cc(cc(cc2)Cl)c2OC1=O)=N/NC(c1cccs1)=O |
| InChI | InChI=1S/C15H10ClN3O3S/c16-9-3-4-11-8(6-9)7-10(15(21)22-11)13(17)18-19-14(20)12-2-1-5-23-12/h1-7H,(H2,17,18)(H,19,20) |
| InChIK | MOYNKSZQNVMUNZ-UHFFFAOYSA-N |
| TotalMolweight | 347.781 |
| Molweight | 347.781 |
| MonoisotopicMass | 347.013139 |
| CLogP | 2.3448 |
| CLogS | -4.572 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 244.04 |
| Relative PSA | 0.38797 |
| PolarSurfaceArea | 122.02 |
| Druglikeness | 5.4508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[amino-(6-chloro-2-oxochromen-3-yl)methylidene]amino]thiophene-2-carboxamide | 2 - N-[(E)-[amino-(6-chloro-2-oxochromen-3-yl)methylidene]amino]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off