2-[4-hydroxy-3-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]benzoyl]benzoic acid
Formula:C31H21N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[4-hydroxy-3-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]benzoyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[4-hydroxy-3-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]benzoyl]benzoic acid |
| MolecularFormula | C31H21N3O6 |
| Smiles | OC(c(cccc1)c1C(c(cc1)cc(N/N=C(/c(cccc2)c2C=C2C(Nc3ccccc3)=O)\C2=O)c1O)=O)=O |
| InChI | InChI=1S/C31H21N3O6/c35-26-15-14-19(28(36)22-12-6-7-13-23(22)31(39)40)17-25(26)33-34-27-21-11-5-4-8-18(21)16-24(29(27)37)30(38)32-20-9-2-1-3-10-20/h1-17,33,35H,(H,32,38)(H,39,40) |
| InChIK | JVXKEVXQWBVHCS-UHFFFAOYSA-N |
| TotalMolweight | 531.523 |
| Molweight | 531.523 |
| MonoisotopicMass | 531.143037 |
| CLogP | 5.7371 |
| CLogS | -6.8 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 393.34 |
| Relative PSA | 0.28675 |
| PolarSurfaceArea | 145.16 |
| Druglikeness | 4.5978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.475 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-hydroxy-3-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]benzoyl]benzoic acid | 2 - 2-[4-hydroxy-3-[(2Z)-2-[2-oxo-3-(phenylcarbamoyl)naphthalen-1-ylidene]hydrazinyl]benzoyl]benzoic acid
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