[(E)-[amino-(4-chlorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C14H11N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C14H11N3O2Cl2 |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H11Cl2N3O2/c15-10-3-1-9(2-4-10)13(17)19-21-14(20)18-12-7-5-11(16)6-8-12/h1-8H,(H2,17,19)(H,18,20) |
| InChIK | ZZFRVSWKABBLPL-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 | 0.71429 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-(4-chlorophenyl)carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off