2-chloroethyl 4-carbamimidoylbenzoate
Formula:C10H11N2O2Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
2-chloroethyl 4-carbamimidoylbenzoate is a drug-like molecule.
| MolName | 2-chloroethyl 4-carbamimidoylbenzoate |
| MolecularFormula | C10H11N2O2Cl |
| Smiles | NC(c(cc1)ccc1C(OCCCl)=O)=N |
| InChI | InChI=1S/C10H11ClN2O2/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4H,5-6H2,(H3,12,13) |
| InChIK | MUAZVOWDACJAKG-UHFFFAOYSA-N |
| TotalMolweight | 226.662 |
| Molweight | 226.662 |
| MonoisotopicMass | 226.050905 |
| CLogP | 0.8965 |
| CLogS | -1.727 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 172.78 |
| Relative PSA | 0.31202 |
| PolarSurfaceArea | 76.17 |
| Druglikeness | -0.84282 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-chloroethyl 4-carbamimidoylbenzoate | 2 - 2-chloroethyl 4-carbamimidoylbenzoate
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