[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-cyclohexylcarbamate
Formula:C21H21N3O3
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-cyclohexylcarbamate is a drug-like molecule.
| MolName | [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-cyclohexylcarbamate |
| MolecularFormula | C21H21N3O3 |
| Smiles | O=C(NC1CCCCC1)O/N=C(\c(cccc1)c1N1c2ccccc2)/C1=O |
| InChI | InChI=1S/C21H21N3O3/c25-20-19(23-27-21(26)22-15-9-3-1-4-10-15)17-13-7-8-14-18(17)24(20)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,26) |
| InChIK | LUFKNSSDAHUWPR-UHFFFAOYSA-N |
| TotalMolweight | 363.416 |
| Molweight | 363.416 |
| MonoisotopicMass | 363.158292 |
| CLogP | 4.559 |
| CLogS | -6.598 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.55 |
| Relative PSA | 0.22554 |
| PolarSurfaceArea | 71 |
| Druglikeness | -12.173 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-cyclohexylcarbamate | 2 - [(E)-(2-oxo-1-phenylindol-3-ylidene)amino] N-cyclohexylcarbamate
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