[(E)-[amino-[3-[(4,5-dichloroimidazol-1-yl)methyl]phenyl]methylidene]amino] N-phenylcarbamate
Formula:C18H15N5O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-[(4,5-dichloroimidazol-1-yl)methyl]phenyl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-[(4,5-dichloroimidazol-1-yl)methyl]phenyl]methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C18H15N5O2Cl2 |
| Smiles | N/C(/c1cccc(Cn(cn2)c(Cl)c2Cl)c1)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C18H15Cl2N5O2/c19-15-16(20)25(11-22-15)10-12-5-4-6-13(9-12)17(21)24-27-18(26)23-14-7-2-1-3-8-14/h1-9,11H,10H2,(H2,21,24)(H,23,26) |
| InChIK | OIJWHPPCTROQBS-UHFFFAOYSA-N |
| TotalMolweight | 404.256 |
| Molweight | 404.256 |
| MonoisotopicMass | 403.060279 |
| CLogP | 4.1233 |
| CLogS | -4.318 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 296.04 |
| Relative PSA | 0.26726 |
| PolarSurfaceArea | 94.53 |
| Druglikeness | -3.2533 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1,2-dihalo-alkene |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[3-[(4,5-dichloroimidazol-1-yl)methyl]phenyl]methylidene]amino] N-phenylcarbamate | 2 - [(E)-[amino-[3-[(4,5-dichloroimidazol-1-yl)methyl]phenyl]methylidene]amino] N-phenylcarbamate
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