(3E)-1-(2-chloroethyl)-3-[2-chloroethyl(nitroso)carbamoyl]imino-1-nitrosourea
Formula:C6H8N6O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(3E)-1-(2-chloroethyl)-3-[2-chloroethyl(nitroso)carbamoyl]imino-1-nitrosourea is a drug-like molecule.
| MolName | (3E)-1-(2-chloroethyl)-3-[2-chloroethyl(nitroso)carbamoyl]imino-1-nitrosourea |
| MolecularFormula | C6H8N6O4Cl2 |
| Smiles | O=C(N(CCCl)N=O)/N=N/C(N(CCCl)N=O)=O |
| InChI | InChI=1S/C6H8Cl2N6O4/c7-1-3-13(11-17)5(15)9-10-6(16)14(12-18)4-2-8/h1-4H2 |
| InChIK | AEHXHTVLDOQEEI-UHFFFAOYSA-N |
| TotalMolweight | 299.074 |
| Molweight | 299.074 |
| MonoisotopicMass | 297.998408 |
| CLogP | 1.123 |
| CLogS | -2.076 |
| H Acceptors | 10 |
| TotalSurfaceArea | 214.1 |
| Relative PSA | 0.49183 |
| PolarSurfaceArea | 124.2 |
| Druglikeness | -6.4484 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | azo; nitroso |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 4 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| StereoCon |
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