2-cyano-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Formula:C14H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C14H15N5O3 |
| Smiles | N#CCC(N/N=C\c(cc(cc1)[N+]([O-])=O)c1N1CCCC1)=O |
| InChI | InChI=1S/C14H15N5O3/c15-6-5-14(20)17-16-10-11-9-12(19(21)22)3-4-13(11)18-7-1-2-8-18/h3-4,9-10H,1-2,5,7-8H2,(H,17,20) |
| InChIK | WYXMYUCSFABSBK-UHFFFAOYSA-N |
| TotalMolweight | 301.305 |
| Molweight | 301.305 |
| MonoisotopicMass | 301.11749 |
| CLogP | 1.0272 |
| CLogS | -4.151 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 238.21 |
| Relative PSA | 0.3507 |
| PolarSurfaceArea | 114.31 |
| Druglikeness | -6.4433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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