N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C16H11N3O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C16H11N3O4S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\C=C\c1ccco1)=O)c2)=O |
| InChI | InChI=1S/C16H11N3O4S/c20-16(18-17-7-1-3-13-4-2-8-23-13)15-10-11-9-12(19(21)22)5-6-14(11)24-15/h1-10H,(H,18,20) |
| InChIK | UCJPWTWWXNPMAY-UHFFFAOYSA-N |
| TotalMolweight | 341.346 |
| Molweight | 341.346 |
| MonoisotopicMass | 341.047027 |
| CLogP | 2.4082 |
| CLogS | -5.504 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 257.39 |
| Relative PSA | 0.39201 |
| PolarSurfaceArea | 128.66 |
| Druglikeness | 0.31448 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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