[(E)-[(3E)-1,3-diamino-3-[(4-chlorophenyl)carbamoyloxyimino]propylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C17H16N6O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[(3E)-1,3-diamino-3-[(4-chlorophenyl)carbamoyloxyimino]propylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[(3E)-1,3-diamino-3-[(4-chlorophenyl)carbamoyloxyimino]propylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C17H16N6O4Cl2 |
| Smiles | N/C(/C/C(/N)=N\OC(Nc(cc1)ccc1Cl)=O)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C17H16Cl2N6O4/c18-10-1-5-12(6-2-10)22-16(26)28-24-14(20)9-15(21)25-29-17(27)23-13-7-3-11(19)4-8-13/h1-8H,9H2,(H2,20,24)(H2,21,25)(H,22,26)(H,23,27) |
| InChIK | HRIYWCNPAXKEPQ-UHFFFAOYSA-N |
| TotalMolweight | 439.258 |
| Molweight | 439.258 |
| MonoisotopicMass | 438.061008 |
| CLogP | 3.9336 |
| CLogS | -6.522 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 319.02 |
| Relative PSA | 0.38418 |
| PolarSurfaceArea | 153.42 |
| Druglikeness | -5.7455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 16 |
| Amides | 2 |
| StereoCon |
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1 - [(E)-[(3E)-1,3-diamino-3-[(4-chlorophenyl)carbamoyloxyimino]propylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[(3E)-1,3-diamino-3-[(4-chlorophenyl)carbamoyloxyimino]propylidene]amino] N-(4-chlorophenyl)carbamate
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