2-cyano-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
Formula:C14H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C14H15N5O4 |
| Smiles | N#CCC(N/N=C\c(cc(cc1)[N+]([O-])=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C14H15N5O4/c15-4-3-14(20)17-16-10-11-9-12(19(21)22)1-2-13(11)18-5-7-23-8-6-18/h1-2,9-10H,3,5-8H2,(H,17,20) |
| InChIK | BAOWUWHZJVXKHG-UHFFFAOYSA-N |
| TotalMolweight | 317.304 |
| Molweight | 317.304 |
| MonoisotopicMass | 317.112405 |
| CLogP | 0.2052 |
| CLogS | -3.532 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 248.21 |
| Relative PSA | 0.37686 |
| PolarSurfaceArea | 123.54 |
| Druglikeness | -7.23 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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