2-chloro-5-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
Formula:C14H11N2O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C14H11N2O3Cl |
| Smiles | OC(c(cc(cc1)N/N=C\c2cc(O)ccc2)c1Cl)=O |
| InChI | InChI=1S/C14H11ClN2O3/c15-13-5-4-10(7-12(13)14(19)20)17-16-8-9-2-1-3-11(18)6-9/h1-8,17-18H,(H,19,20) |
| InChIK | LKVZRDNAABMEEK-UHFFFAOYSA-N |
| TotalMolweight | 290.705 |
| Molweight | 290.705 |
| MonoisotopicMass | 290.04582 |
| CLogP | 4.5863 |
| CLogS | -3.602 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 215.11 |
| Relative PSA | 0.2892 |
| PolarSurfaceArea | 81.92 |
| Druglikeness | 1.9083 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-5-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid | 2 - 2-chloro-5-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off