[(Z)-(3-nitrophenyl)methylideneamino] cyclopropanecarboxylate
Formula:C11H10N2O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-(3-nitrophenyl)methylideneamino] cyclopropanecarboxylate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] cyclopropanecarboxylate |
| MolecularFormula | C11H10N2O4 |
| Smiles | [O-][N+](c1cc(/C=N\OC(C2CC2)=O)ccc1)=O |
| InChI | InChI=1S/C11H10N2O4/c14-11(9-4-5-9)17-12-7-8-2-1-3-10(6-8)13(15)16/h1-3,6-7,9H,4-5H2 |
| InChIK | IPKWZAYYRGUZMQ-UHFFFAOYSA-N |
| TotalMolweight | 234.21 |
| Molweight | 234.21 |
| MonoisotopicMass | 234.064058 |
| CLogP | 1.8708 |
| CLogS | -3.577 |
| H Acceptors | 6 |
| TotalSurfaceArea | 175.96 |
| Relative PSA | 0.36923 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -6.8155 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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