N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C22H17N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C22H17N4OCl |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H17ClN4O/c23-17-9-11-18(12-10-17)27-15-5-6-19(27)16-24-25-22(28)20-7-1-2-8-21(20)26-13-3-4-14-26/h1-16H,(H,25,28) |
| InChIK | UCDCGGMDKDJGDX-UHFFFAOYSA-N |
| TotalMolweight | 388.857 |
| Molweight | 388.857 |
| MonoisotopicMass | 388.109088 |
| CLogP | 4.2314 |
| CLogS | -9.107 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.33 |
| Relative PSA | 0.16565 |
| PolarSurfaceArea | 51.32 |
| Druglikeness | 5.4858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide | 2 - N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
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