[(Z)-pyridin-4-ylmethylideneamino] N-(2,5-dichlorophenyl)carbamate
Formula:C13H9N3O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[(Z)-pyridin-4-ylmethylideneamino] N-(2,5-dichlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-pyridin-4-ylmethylideneamino] N-(2,5-dichlorophenyl)carbamate |
| MolecularFormula | C13H9N3O2Cl2 |
| Smiles | O=C(Nc(cc(cc1)Cl)c1Cl)O/N=C\c1ccncc1 |
| InChI | InChI=1S/C13H9Cl2N3O2/c14-10-1-2-11(15)12(7-10)18-13(19)20-17-8-9-3-5-16-6-4-9/h1-8H,(H,18,19) |
| InChIK | GDTDVGUDYJCKNR-UHFFFAOYSA-N |
| TotalMolweight | 310.139 |
| Molweight | 310.139 |
| MonoisotopicMass | 309.007181 |
| CLogP | 4.1231 |
| CLogS | -4.964 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 226.59 |
| Relative PSA | 0.25147 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -6.178 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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