[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino] N-(2,6-difluorobenzoyl)carbamate
Formula:C17H11N2O3ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino] N-(2,6-difluorobenzoyl)carbamate is a drug-like molecule.
| MolName | [(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino] N-(2,6-difluorobenzoyl)carbamate |
| MolecularFormula | C17H11N2O3ClF2 |
| Smiles | O=C(c(c(F)ccc1)c1F)NC(O/N=C\C(\Cl)=C\c1ccccc1)=O |
| InChI | InChI=1S/C17H11ClF2N2O3/c18-12(9-11-5-2-1-3-6-11)10-21-25-17(24)22-16(23)15-13(19)7-4-8-14(15)20/h1-10H,(H,22,23,24) |
| InChIK | CEKDMJXFFHAJQZ-UHFFFAOYSA-N |
| TotalMolweight | 364.734 |
| Molweight | 364.734 |
| MonoisotopicMass | 364.042626 |
| CLogP | 4.3853 |
| CLogS | -5.843 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.57 |
| Relative PSA | 0.22069 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -10.845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino] N-(2,6-difluorobenzoyl)carbamate | 2 - [(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino] N-(2,6-difluorobenzoyl)carbamate
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