1-[(Z)-(4-chlorophenyl)methylideneamino]-3-[2-(2-hydroxyethylamino)ethyl]urea
Formula:C12H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-[2-(2-hydroxyethylamino)ethyl]urea is a drug-like molecule.
| MolName | 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-[2-(2-hydroxyethylamino)ethyl]urea |
| MolecularFormula | C12H17N4O2Cl |
| Smiles | OCCNCCNC(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C12H17ClN4O2/c13-11-3-1-10(2-4-11)9-16-17-12(19)15-6-5-14-7-8-18/h1-4,9,14,18H,5-8H2,(H2,15,17,19) |
| InChIK | QUKXQDGKCXONGH-UHFFFAOYSA-N |
| TotalMolweight | 284.746 |
| Molweight | 284.746 |
| MonoisotopicMass | 284.104003 |
| CLogP | 1.0057 |
| CLogS | -3.044 |
| H Acceptors | 6 |
| H Donors | 4 |
| TotalSurfaceArea | 226.96 |
| Relative PSA | 0.31737 |
| PolarSurfaceArea | 85.75 |
| Druglikeness | 5.0015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.84211 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-[2-(2-hydroxyethylamino)ethyl]urea | 2 - 1-[(Z)-(4-chlorophenyl)methylideneamino]-3-[2-(2-hydroxyethylamino)ethyl]urea
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