[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino] N-(3-chlorophenyl)carbamate
Formula:C22H17N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino] N-(3-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino] N-(3-chlorophenyl)carbamate |
| MolecularFormula | C22H17N2O3Cl |
| Smiles | O=C(Nc1cccc(Cl)c1)O/N=C(/C1)\c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C22H17ClN2O3/c23-16-9-6-10-17(13-16)24-22(26)28-25-19-14-21(15-7-2-1-3-8-15)27-20-12-5-4-11-18(19)20/h1-13,21H,14H2,(H,24,26)/t21-/m1/s1 |
| InChIK | DDTREYQIOMDWCG-OAQYLSRUSA-N |
| TotalMolweight | 392.841 |
| Molweight | 392.841 |
| MonoisotopicMass | 392.09277 |
| CLogP | 6.1179 |
| CLogS | -6.611 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.14 |
| Relative PSA | 0.19107 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -4.9951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - [(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino] N-(3-chlorophenyl)carbamate | 2 - [(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino] N-(3-chlorophenyl)carbamate
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