(Z)-1-(2-chlorophenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine
Formula:C19H16N5OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(2-chlorophenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-chlorophenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine |
| MolecularFormula | C19H16N5OClS |
| Smiles | Clc1c(/C=N\OCc2nn(cnc3c4c(CCCC5)c5s3)c4n2)cccc1 |
| InChI | InChI=1S/C19H16ClN5OS/c20-14-7-3-1-5-12(14)9-22-26-10-16-23-18-17-13-6-2-4-8-15(13)27-19(17)21-11-25(18)24-16/h1,3,5,7,9,11H,2,4,6,8,10H2 |
| InChIK | ZXRDOQPYPGGOII-UHFFFAOYSA-N |
| TotalMolweight | 397.889 |
| Molweight | 397.889 |
| MonoisotopicMass | 397.076407 |
| CLogP | 4.3846 |
| CLogS | -7.029 |
| H Acceptors | 6 |
| TotalSurfaceArea | 290.57 |
| Relative PSA | 0.28472 |
| PolarSurfaceArea | 92.91 |
| Druglikeness | 0.25333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-chlorophenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine | 2 - (Z)-1-(2-chlorophenyl)-N-(10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-ylmethoxy)methanimine
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