N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]thiophene-2-carboxamide
Formula:C18H12N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C18H12N4O6S |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1ccc(/C=N\NC(c2cccs2)=O)cc1)=O |
| InChI | InChI=1S/C18H12N4O6S/c23-18(17-2-1-9-29-17)20-19-11-12-3-6-14(7-4-12)28-16-8-5-13(21(24)25)10-15(16)22(26)27/h1-11H,(H,20,23) |
| InChIK | UAVGIWCCHNLHFB-UHFFFAOYSA-N |
| TotalMolweight | 412.381 |
| Molweight | 412.381 |
| MonoisotopicMass | 412.047756 |
| CLogP | 2.6206 |
| CLogS | -6.948 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 300.03 |
| Relative PSA | 0.42399 |
| PolarSurfaceArea | 170.57 |
| Druglikeness | 1.0406 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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