[(E)-(4-chlorophenyl)methylideneamino] carbamate
Formula:C8H7N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(4-chlorophenyl)methylideneamino] carbamate is a drug-like molecule.
| MolName | [(E)-(4-chlorophenyl)methylideneamino] carbamate |
| MolecularFormula | C8H7N2O2Cl |
| Smiles | NC(O/N=C/c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C8H7ClN2O2/c9-7-3-1-6(2-4-7)5-11-13-8(10)12/h1-5H,(H2,10,12) |
| InChIK | UPLPBZWVAZZKKU-UHFFFAOYSA-N |
| TotalMolweight | 198.609 |
| Molweight | 198.609 |
| MonoisotopicMass | 198.019605 |
| CLogP | 2.4578 |
| CLogS | -3.6 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 149.71 |
| Relative PSA | 0.33278 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -2.51 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(4-chlorophenyl)methylideneamino] carbamate | 2 - [(E)-(4-chlorophenyl)methylideneamino] carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off