[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
Formula:C14H11N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea |
| MolecularFormula | C14H11N3OCl2 |
| Smiles | NC(N/N=C(\c1ccccc1)/c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C14H11Cl2N3O/c15-11-7-6-10(8-12(11)16)13(18-19-14(17)20)9-4-2-1-3-5-9/h1-8H,(H3,17,19,20) |
| InChIK | RHPDZIURFDSKAN-UHFFFAOYSA-N |
| TotalMolweight | 308.167 |
| Molweight | 308.167 |
| MonoisotopicMass | 307.027916 |
| CLogP | 3.544 |
| CLogS | -6.062 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 224.56 |
| Relative PSA | 0.22836 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 3.2158 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea | 2 - [(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off