[(E)-(1-amino-2-chloroethylidene)amino] N-phenylcarbamate
Formula:C9H10N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-(1-amino-2-chloroethylidene)amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-chloroethylidene)amino] N-phenylcarbamate |
| MolecularFormula | C9H10N3O2Cl |
| Smiles | N/C(/CCl)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C9H10ClN3O2/c10-6-8(11)13-15-9(14)12-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13)(H,12,14) |
| InChIK | SFSBQDZAZSRWPB-UHFFFAOYSA-N |
| TotalMolweight | 227.65 |
| Molweight | 227.65 |
| MonoisotopicMass | 227.046154 |
| CLogP | 1.8515 |
| CLogS | -3.283 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 173.14 |
| Relative PSA | 0.35393 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -5.8148 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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