N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C22H16N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C22H16N3O2Cl |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C22H16ClN3O2/c23-17-7-5-6-16(14-17)21-11-10-18(28-21)15-24-25-22(27)19-8-1-2-9-20(19)26-12-3-4-13-26/h1-15H,(H,25,27) |
| InChIK | OHPIXEDGWNFVDP-UHFFFAOYSA-N |
| TotalMolweight | 389.841 |
| Molweight | 389.841 |
| MonoisotopicMass | 389.093104 |
| CLogP | 4.9314 |
| CLogS | -8.23 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 300.82 |
| Relative PSA | 0.18945 |
| PolarSurfaceArea | 59.53 |
| Druglikeness | 7.0088 |
| Mutagenic | high |
| Tumorigenic | high |
| 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 | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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