N-[(Z)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
Formula:C21H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide |
| MolecularFormula | C21H16N3O3Cl |
| Smiles | Oc(cc1)ccc1C(N/N=C\c1cccc(NC(c(cc2)ccc2Cl)=O)c1)=O |
| InChI | InChI=1S/C21H16ClN3O3/c22-17-8-4-15(5-9-17)20(27)24-18-3-1-2-14(12-18)13-23-25-21(28)16-6-10-19(26)11-7-16/h1-13,26H,(H,24,27)(H,25,28) |
| InChIK | AGJQYPKAVVIMAD-UHFFFAOYSA-N |
| TotalMolweight | 393.829 |
| Molweight | 393.829 |
| MonoisotopicMass | 393.088019 |
| CLogP | 4.6094 |
| CLogS | -5.673 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 297.73 |
| Relative PSA | 0.24724 |
| PolarSurfaceArea | 90.79 |
| Druglikeness | 4.8751 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide | 2 - N-[(Z)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
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