(3Z)-1-(2-chloro-1-hydroxyprop-2-enyl)-3-(2-chloroprop-2-enylidene)urea
Formula:C7H8N2O2Cl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(3Z)-1-(2-chloro-1-hydroxyprop-2-enyl)-3-(2-chloroprop-2-enylidene)urea is a drug-like molecule.
| MolName | (3Z)-1-(2-chloro-1-hydroxyprop-2-enyl)-3-(2-chloroprop-2-enylidene)urea |
| MolecularFormula | C7H8N2O2Cl2 |
| Smiles | C=C(C(NC(/N=C\C(Cl)=C)=O)O)Cl |
| InChI | InChI=1S/C7H8Cl2N2O2/c1-4(8)3-10-7(13)11-6(12)5(2)9/h3,6,12H,1-2H2,(H,11,13)/t6-/m0/s1 |
| InChIK | CQPKEZIEFYDHAY-LURJTMIESA-N |
| TotalMolweight | 223.059 |
| Molweight | 223.059 |
| MonoisotopicMass | 221.996282 |
| CLogP | 0.9099 |
| CLogS | -3.123 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 162.66 |
| Relative PSA | 0.30192 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | -1.0092 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Sp3Atoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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