(E)-N-phenylmethoxy-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine
Formula:C18H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-N-phenylmethoxy-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine is a drug-like molecule.
| MolName | (E)-N-phenylmethoxy-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine |
| MolecularFormula | C18H16N4O2 |
| Smiles | C(c1ccccc1)O/N=C1\c(cccc2)c2OCC1n1ncnc1 |
| InChI | InChI=1S/C18H16N4O2/c1-2-6-14(7-3-1)10-24-21-18-15-8-4-5-9-17(15)23-11-16(18)22-13-19-12-20-22/h1-9,12-13,16H,10-11H2/t16-/m1/s1 |
| InChIK | UMWMTXUHGWTNBT-MRXNPFEDSA-N |
| TotalMolweight | 320.351 |
| Molweight | 320.351 |
| MonoisotopicMass | 320.127326 |
| CLogP | 3.3094 |
| CLogS | -3.562 |
| H Acceptors | 6 |
| TotalSurfaceArea | 248.99 |
| Relative PSA | 0.24226 |
| PolarSurfaceArea | 61.53 |
| Druglikeness | 4.0122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon | racemate |
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1 - (E)-N-phenylmethoxy-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine | 2 - (E)-N-phenylmethoxy-3-(1,2,4-triazol-1-yl)-2,3-dihydrochromen-4-imine
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