[(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C14H9N4O2Cl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C14H9N4O2Cl2F3 |
| Smiles | N/C(/c(ncc(C(F)(F)F)c1)c1Cl)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H9Cl2F3N4O2/c15-8-1-3-9(4-2-8)22-13(24)25-23-12(20)11-10(16)5-7(6-21-11)14(17,18)19/h1-6H,(H2,20,23)(H,22,24) |
| InChIK | LQIKKTVLLFKPEX-UHFFFAOYSA-N |
| TotalMolweight | 393.151 |
| Molweight | 393.151 |
| MonoisotopicMass | 392.005464 |
| CLogP | 4.1794 |
| CLogS | -5.531 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 262.78 |
| Relative PSA | 0.27494 |
| PolarSurfaceArea | 89.6 |
| Druglikeness | -12.841 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off