N-(5-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
Formula:C14H15N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(5-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-(5-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide |
| MolecularFormula | C14H15N3O3S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(NC(C1CCCCC1)=O)n2)=O |
| InChI | InChI=1S/C14H15N3O3S/c18-13(9-4-2-1-3-5-9)16-14-15-11-8-10(17(19)20)6-7-12(11)21-14/h6-9H,1-5H2,(H,15,16,18) |
| InChIK | PMCVHFCDSXZWIU-UHFFFAOYSA-N |
| TotalMolweight | 305.357 |
| Molweight | 305.357 |
| MonoisotopicMass | 305.083412 |
| CLogP | 2.5882 |
| CLogS | -4.711 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 223.24 |
| Relative PSA | 0.38636 |
| PolarSurfaceArea | 116.05 |
| Druglikeness | -7.2096 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(5-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide | 2 - N-(5-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off