2-[3-[(2Z)-2-(8-benzamido-2-oxonaphthalen-1-ylidene)hydrazinyl]-4-hydroxybenzoyl]benzoic acid
Formula:C31H21N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(2Z)-2-(8-benzamido-2-oxonaphthalen-1-ylidene)hydrazinyl]-4-hydroxybenzoyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[3-[(2Z)-2-(8-benzamido-2-oxonaphthalen-1-ylidene)hydrazinyl]-4-hydroxybenzoyl]benzoic acid |
| MolecularFormula | C31H21N3O6 |
| Smiles | OC(c(cccc1)c1C(c(cc1)cc(N/N=C(\C(C=Cc2ccc3)=O)/c2c3NC(c2ccccc2)=O)c1O)=O)=O |
| InChI | InChI=1S/C31H21N3O6/c35-25-15-14-20(29(37)21-10-4-5-11-22(21)31(39)40)17-24(25)33-34-28-26(36)16-13-18-9-6-12-23(27(18)28)32-30(38)19-7-2-1-3-8-19/h1-17,33,35H,(H,32,38)(H,39,40) |
| InChIK | WVHWYHIUUSDUCR-UHFFFAOYSA-N |
| TotalMolweight | 531.523 |
| Molweight | 531.523 |
| MonoisotopicMass | 531.143037 |
| CLogP | 6.0583 |
| CLogS | -7.214 |
| H Acceptors | 9 |
| H Donors | 4 |
| TotalSurfaceArea | 395.13 |
| Relative PSA | 0.28545 |
| PolarSurfaceArea | 145.16 |
| Druglikeness | 3.9353 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| 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-[3-[(2Z)-2-(8-benzamido-2-oxonaphthalen-1-ylidene)hydrazinyl]-4-hydroxybenzoyl]benzoic acid | 2 - 2-[3-[(2Z)-2-(8-benzamido-2-oxonaphthalen-1-ylidene)hydrazinyl]-4-hydroxybenzoyl]benzoic acid
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