(Z)-1-(1,3-benzodioxol-5-yl)-N-(6,8-dichloroquinazolin-4-yl)oxymethanimine
Formula:C16H9N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(1,3-benzodioxol-5-yl)-N-(6,8-dichloroquinazolin-4-yl)oxymethanimine is not a drug-like molecule.
| MolName | (Z)-1-(1,3-benzodioxol-5-yl)-N-(6,8-dichloroquinazolin-4-yl)oxymethanimine |
| MolecularFormula | C16H9N3O3Cl2 |
| Smiles | Clc(cc(c1ncn2)Cl)cc1c2O/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C16H9Cl2N3O3/c17-10-4-11-15(12(18)5-10)19-7-20-16(11)24-21-6-9-1-2-13-14(3-9)23-8-22-13/h1-7H,8H2 |
| InChIK | WOANXEICNZEFSD-UHFFFAOYSA-N |
| TotalMolweight | 362.171 |
| Molweight | 362.171 |
| MonoisotopicMass | 361.002096 |
| CLogP | 5.1252 |
| CLogS | -7.59 |
| H Acceptors | 6 |
| TotalSurfaceArea | 251 |
| Relative PSA | 0.25279 |
| PolarSurfaceArea | 65.83 |
| Druglikeness | -0.1593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (Z)-1-(1,3-benzodioxol-5-yl)-N-(6,8-dichloroquinazolin-4-yl)oxymethanimine | 2 - (Z)-1-(1,3-benzodioxol-5-yl)-N-(6,8-dichloroquinazolin-4-yl)oxymethanimine
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