[(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] N-(3-chlorophenyl)carbamate
Formula:C19H14N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] N-(3-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] N-(3-chlorophenyl)carbamate |
| MolecularFormula | C19H14N4O3Cl2 |
| Smiles | N/C(/c(cc1)cnc1Oc(cc1)ccc1Cl)=N/OC(Nc1cccc(Cl)c1)=O |
| InChI | InChI=1S/C19H14Cl2N4O3/c20-13-5-7-16(8-6-13)27-17-9-4-12(11-23-17)18(22)25-28-19(26)24-15-3-1-2-14(21)10-15/h1-11H,(H2,22,25)(H,24,26) |
| InChIK | VMNWMKFYJYYUBL-UHFFFAOYSA-N |
| TotalMolweight | 417.251 |
| Molweight | 417.251 |
| MonoisotopicMass | 416.044295 |
| CLogP | 5.0241 |
| CLogS | -7.551 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 303.08 |
| Relative PSA | 0.27138 |
| PolarSurfaceArea | 98.83 |
| Druglikeness | -5.6459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] N-(3-chlorophenyl)carbamate | 2 - [(E)-[amino-[6-(4-chlorophenoxy)pyridin-3-yl]methylidene]amino] N-(3-chlorophenyl)carbamate
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