[(Z)-(3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate
Formula:C14H9N3O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-(3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate |
| MolecularFormula | C14H9N3O4Cl2 |
| Smiles | [O-][N+](c1cccc(/C=N\OC(Nc(cc2)cc(Cl)c2Cl)=O)c1)=O |
| InChI | InChI=1S/C14H9Cl2N3O4/c15-12-5-4-10(7-13(12)16)18-14(20)23-17-8-9-2-1-3-11(6-9)19(21)22/h1-8H,(H,18,20) |
| InChIK | HQEQTVHLOZAUIZ-UHFFFAOYSA-N |
| TotalMolweight | 354.148 |
| Molweight | 354.148 |
| MonoisotopicMass | 352.997011 |
| CLogP | 4.2024 |
| CLogS | -6.219 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 251.5 |
| Relative PSA | 0.3039 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -11.295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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