1-amino-3-[(E)-[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-(4-fluorophenyl)ethylidene]amino]urea
Formula:C17H14N5O3Cl2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-amino-3-[(E)-[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-(4-fluorophenyl)ethylidene]amino]urea is a drug-like molecule.
| MolName | 1-amino-3-[(E)-[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-(4-fluorophenyl)ethylidene]amino]urea |
| MolecularFormula | C17H14N5O3Cl2F |
| Smiles | NNC(N/N=C(\CC(c(c(N1)c(cc2)Cl)c2Cl)(C1=O)O)/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C17H14Cl2FN5O3/c18-10-5-6-11(19)14-13(10)17(28,15(26)22-14)7-12(24-25-16(27)23-21)8-1-3-9(20)4-2-8/h1-6,28H,7,21H2,(H,22,26)(H2,23,25,27)/t17-/m0/s1 |
| InChIK | RQYFWYOKQVUJFO-KRWDZBQOSA-N |
| TotalMolweight | 426.234 |
| Molweight | 426.234 |
| MonoisotopicMass | 425.045772 |
| CLogP | 1.5346 |
| CLogS | -6.396 |
| H Acceptors | 8 |
| H Donors | 5 |
| TotalSurfaceArea | 288.6 |
| Relative PSA | 0.34768 |
| PolarSurfaceArea | 128.84 |
| Druglikeness | -1.0856 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | hydrazine |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-amino-3-[(E)-[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-(4-fluorophenyl)ethylidene]amino]urea | 2 - 1-amino-3-[(E)-[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-(4-fluorophenyl)ethylidene]amino]urea
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