4-[(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C17H19N5O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C17H19N5O5S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c(cc1)ccc1N1CCOCC1)(=O)=O |
| InChI | InChI=1S/C17H19N5O5S/c18-28(25,26)15-5-6-16(17(11-15)22(23)24)20-19-12-13-1-3-14(4-2-13)21-7-9-27-10-8-21/h1-6,11-12,20H,7-10H2,(H2,18,25,26) |
| InChIK | PTBDNLPVAGGXCC-UHFFFAOYSA-N |
| TotalMolweight | 405.434 |
| Molweight | 405.434 |
| MonoisotopicMass | 405.11069 |
| CLogP | 2.3523 |
| CLogS | -3.611 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 291.85 |
| Relative PSA | 0.37961 |
| PolarSurfaceArea | 151.22 |
| Druglikeness | -3.4372 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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