1-[(Z)-(3-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)methyl]cyclohexan-1-ol
Formula:C19H24N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(3-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)methyl]cyclohexan-1-ol is a drug-like molecule.
| MolName | 1-[(Z)-(3-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)methyl]cyclohexan-1-ol |
| MolecularFormula | C19H24N2O5 |
| Smiles | [O-][N+](c(cc1)cc(C2N3CCOCC3)c1O/C2=C\C1(CCCCC1)O)=O |
| InChI | InChI=1S/C19H24N2O5/c22-19(6-2-1-3-7-19)13-17-18(20-8-10-25-11-9-20)15-12-14(21(23)24)4-5-16(15)26-17/h4-5,12-13,18,22H,1-3,6-11H2/t18-/m1/s1 |
| InChIK | NTHQPAPZADRELK-GOSISDBHSA-N |
| TotalMolweight | 360.409 |
| Molweight | 360.409 |
| MonoisotopicMass | 360.168523 |
| CLogP | 0.8888 |
| CLogS | -3.218 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 264.54 |
| Relative PSA | 0.25353 |
| PolarSurfaceArea | 87.75 |
| Druglikeness | -7.0393 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 16 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 1-[(Z)-(3-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)methyl]cyclohexan-1-ol | 2 - 1-[(Z)-(3-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)methyl]cyclohexan-1-ol
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