N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-benzothiazol-2-amine
Formula:C18H17N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C18H17N3S |
| Smiles | C(CC1)Cc(cccc2)c2/C1=N/Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C18H17N3S/c1-3-9-14-13(7-1)8-2-4-10-15(14)20-21-18-19-16-11-5-6-12-17(16)22-18/h1,3,5-7,9,11-12H,2,4,8,10H2,(H,19,21) |
| InChIK | NEIOMPHZCNYDLX-UHFFFAOYSA-N |
| TotalMolweight | 307.42 |
| Molweight | 307.42 |
| MonoisotopicMass | 307.114317 |
| CLogP | 6.658 |
| CLogS | -5.335 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.29 |
| Relative PSA | 0.22787 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -3.4975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-1,3-benzothiazol-2-amine
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