5-chloro-N-[4-(cyclohexylamino)-3-nitrophenyl]-2-hydroxybenzamide
Formula:C19H20N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-chloro-N-[4-(cyclohexylamino)-3-nitrophenyl]-2-hydroxybenzamide is a drug-like molecule.
| MolName | 5-chloro-N-[4-(cyclohexylamino)-3-nitrophenyl]-2-hydroxybenzamide |
| MolecularFormula | C19H20N3O4Cl |
| Smiles | [O-][N+](c(cc(cc1)NC(c(cc(cc2)Cl)c2O)=O)c1NC1CCCCC1)=O |
| InChI | InChI=1S/C19H20ClN3O4/c20-12-6-9-18(24)15(10-12)19(25)22-14-7-8-16(17(11-14)23(26)27)21-13-4-2-1-3-5-13/h6-11,13,21,24H,1-5H2,(H,22,25) |
| InChIK | UBXDUTCFYOONBL-UHFFFAOYSA-N |
| TotalMolweight | 389.838 |
| Molweight | 389.838 |
| MonoisotopicMass | 389.114234 |
| CLogP | 3.3485 |
| CLogS | -5.662 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 286.93 |
| Relative PSA | 0.277 |
| PolarSurfaceArea | 107.18 |
| Druglikeness | -9.1429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-chloro-N-[4-(cyclohexylamino)-3-nitrophenyl]-2-hydroxybenzamide | 2 - 5-chloro-N-[4-(cyclohexylamino)-3-nitrophenyl]-2-hydroxybenzamide
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