[4-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C25H18N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C25H18N3O3Cl |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(cc1)ccc1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C25H18ClN3O3/c26-20-11-9-19(10-12-20)25(31)32-21-13-7-18(8-14-21)17-27-28-24(30)22-5-1-2-6-23(22)29-15-3-4-16-29/h1-17H,(H,28,30) |
| InChIK | FPDJFERVAHVINJ-UHFFFAOYSA-N |
| TotalMolweight | 443.889 |
| Molweight | 443.889 |
| MonoisotopicMass | 443.103669 |
| CLogP | 5.423 |
| CLogS | -8.24 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 338.88 |
| Relative PSA | 0.19452 |
| PolarSurfaceArea | 72.69 |
| Druglikeness | 4.7719 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [4-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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