[(E)-[amino(phenyl)methylidene]amino] N-(3,4-dichlorophenyl)carbamate
Formula:C14H11N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] N-(3,4-dichlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] N-(3,4-dichlorophenyl)carbamate |
| MolecularFormula | C14H11N3O2Cl2 |
| Smiles | N/C(/c1ccccc1)=N/OC(Nc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C14H11Cl2N3O2/c15-11-7-6-10(8-12(11)16)18-14(20)21-19-13(17)9-4-2-1-3-5-9/h1-8H,(H2,17,19)(H,18,20) |
| InChIK | XCRFWXQKBIHUAW-UHFFFAOYSA-N |
| TotalMolweight | 324.166 |
| Molweight | 324.166 |
| MonoisotopicMass | 323.022831 |
| CLogP | 4.278 |
| CLogS | -5.524 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 234.56 |
| Relative PSA | 0.26126 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -5.6509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| 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 |
| StereoCon |
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