[(2-chloroacetyl)amino]methyl N-(chloromethyl)carbamate
Formula:C5H8N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(2-chloroacetyl)amino]methyl N-(chloromethyl)carbamate is a drug-like molecule.
| MolName | [(2-chloroacetyl)amino]methyl N-(chloromethyl)carbamate |
| MolecularFormula | C5H8N2O3Cl2 |
| Smiles | O=C(CCl)NCOC(NCCl)=O |
| InChI | InChI=1S/C5H8Cl2N2O3/c6-1-4(10)9-3-12-5(11)8-2-7/h1-3H2,(H,8,11)(H,9,10) |
| InChIK | YSNOLDOPVVFEDC-UHFFFAOYSA-N |
| TotalMolweight | 215.036 |
| Molweight | 215.036 |
| MonoisotopicMass | 213.991197 |
| CLogP | 0.0662 |
| CLogS | -3.032 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 154.04 |
| Relative PSA | 0.38302 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | -8.2173 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.83333 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [(2-chloroacetyl)amino]methyl N-(chloromethyl)carbamate | 2 - [(2-chloroacetyl)amino]methyl N-(chloromethyl)carbamate
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