2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Formula:C14H13N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H13N5O4S |
| Smiles | [O-][N+](c1cccc(NC(NCC(N/N=C\c2cccs2)=O)=O)c1)=O |
| InChI | InChI=1S/C14H13N5O4S/c20-13(18-16-8-12-5-2-6-24-12)9-15-14(21)17-10-3-1-4-11(7-10)19(22)23/h1-8H,9H2,(H,18,20)(H2,15,17,21) |
| InChIK | BGZCEIWMSLRIEA-UHFFFAOYSA-N |
| TotalMolweight | 347.354 |
| Molweight | 347.354 |
| MonoisotopicMass | 347.068825 |
| CLogP | 1.2242 |
| CLogS | -4.474 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 261.03 |
| Relative PSA | 0.47025 |
| PolarSurfaceArea | 156.65 |
| Druglikeness | 1.9774 |
| Mutagenic | none |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide | 2 - 2-[(3-nitrophenyl)carbamoylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
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