2-chloro-3-hydroxy-4-(piperidin-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Formula:C19H22NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-chloro-3-hydroxy-4-(piperidin-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one is a drug-like molecule.
| MolName | 2-chloro-3-hydroxy-4-(piperidin-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one |
| MolecularFormula | C19H22NO3Cl |
| Smiles | Oc(c(CN1CCCCC1)c(c(C1=C2CCCC1)c1)OC2=O)c1Cl |
| InChI | InChI=1S/C19H22ClNO3/c20-16-10-14-12-6-2-3-7-13(12)19(23)24-18(14)15(17(16)22)11-21-8-4-1-5-9-21/h10,22H,1-9,11H2 |
| InChIK | YFYMWFNBNWLLTC-UHFFFAOYSA-N |
| TotalMolweight | 347.841 |
| Molweight | 347.841 |
| MonoisotopicMass | 347.128821 |
| CLogP | 3.4228 |
| CLogS | -3.759 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.1 |
| Relative PSA | 0.15682 |
| PolarSurfaceArea | 49.77 |
| Druglikeness | -0.55663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-chloro-3-hydroxy-4-(piperidin-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one | 2 - 2-chloro-3-hydroxy-4-(piperidin-1-ylmethyl)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
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