(E)-7-chloro-N-phenylmethoxy-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine
Formula:C18H15N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-7-chloro-N-phenylmethoxy-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine is a drug-like molecule.
| MolName | (E)-7-chloro-N-phenylmethoxy-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine |
| MolecularFormula | C18H15N4O2Cl |
| Smiles | Clc(cc1)cc(OCC2n3cnnc3)c1/C2=N\OCc1ccccc1 |
| InChI | InChI=1S/C18H15ClN4O2/c19-14-6-7-15-17(8-14)24-10-16(23-11-20-21-12-23)18(15)22-25-9-13-4-2-1-3-5-13/h1-8,11-12,16H,9-10H2/t16-/m1/s1 |
| InChIK | JLRLEYIAAJQKKW-MRXNPFEDSA-N |
| TotalMolweight | 354.796 |
| Molweight | 354.796 |
| MonoisotopicMass | 354.088353 |
| CLogP | 3.8795 |
| CLogS | -3.767 |
| H Acceptors | 6 |
| TotalSurfaceArea | 264.41 |
| Relative PSA | 0.22813 |
| PolarSurfaceArea | 61.53 |
| Druglikeness | 3.6139 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
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1 - (E)-7-chloro-N-phenylmethoxy-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine | 2 - (E)-7-chloro-N-phenylmethoxy-3-(1,2,4-triazol-4-yl)-2,3-dihydrochromen-4-imine
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