[(E)-[(3E)-1,3-diamino-3-[(3,4-dichlorophenyl)carbamoyloxyimino]propylidene]amino] N-(3,4-dichlorophenyl)carbamate
Formula:C17H14N6O4Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[(3E)-1,3-diamino-3-[(3,4-dichlorophenyl)carbamoyloxyimino]propylidene]amino] N-(3,4-dichlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-[(3E)-1,3-diamino-3-[(3,4-dichlorophenyl)carbamoyloxyimino]propylidene]amino] N-(3,4-dichlorophenyl)carbamate |
| MolecularFormula | C17H14N6O4Cl4 |
| Smiles | N/C(/C/C(/N)=N\OC(Nc(cc1)cc(Cl)c1Cl)=O)=N/OC(Nc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C17H14Cl4N6O4/c18-10-3-1-8(5-12(10)20)24-16(28)30-26-14(22)7-15(23)27-31-17(29)25-9-2-4-11(19)13(21)6-9/h1-6H,7H2,(H2,22,26)(H2,23,27)(H,24,28)(H,25,29) |
| InChIK | NGOBBJNMADUABL-UHFFFAOYSA-N |
| TotalMolweight | 508.148 |
| Molweight | 508.148 |
| MonoisotopicMass | 505.983062 |
| CLogP | 5.1456 |
| CLogS | -7.994 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 349.86 |
| Relative PSA | 0.35031 |
| PolarSurfaceArea | 153.42 |
| Druglikeness | -5.7455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 15 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[(3E)-1,3-diamino-3-[(3,4-dichlorophenyl)carbamoyloxyimino]propylidene]amino] N-(3,4-dichlorophenyl)carbamate | 2 - [(E)-[(3E)-1,3-diamino-3-[(3,4-dichlorophenyl)carbamoyloxyimino]propylidene]amino] N-(3,4-dichlorophenyl)carbamate
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