(E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine
Formula:C18H13N4O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine is not a drug-like molecule.
| MolName | (E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine |
| MolecularFormula | C18H13N4O2Cl3 |
| Smiles | Clc(cc1)cc(OCC2n3ncnc3)c1/C2=N\OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H13Cl3N4O2/c19-12-2-1-11(15(21)5-12)7-27-24-18-14-4-3-13(20)6-17(14)26-8-16(18)25-10-22-9-23-25/h1-6,9-10,16H,7-8H2/t16-/m0/s1 |
| InChIK | DKXDVPWLAFASRR-INIZCTEOSA-N |
| TotalMolweight | 423.686 |
| Molweight | 423.686 |
| MonoisotopicMass | 422.010407 |
| CLogP | 5.1274 |
| CLogS | -5.77 |
| H Acceptors | 6 |
| TotalSurfaceArea | 295.25 |
| Relative PSA | 0.2043 |
| PolarSurfaceArea | 61.53 |
| Druglikeness | 4.0501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine | 2 - (E)-7-chloro-N-[(2,4-dichlorophenyl)methoxy]-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine
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