2-chloro-4-[(E)-2-nitroethenyl]phenol
Formula:C8H6NO3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-4-[(E)-2-nitroethenyl]phenol is a drug-like molecule.
| MolName | 2-chloro-4-[(E)-2-nitroethenyl]phenol |
| MolecularFormula | C8H6NO3Cl |
| Smiles | [O-][N+](/C=C/c(cc1)cc(Cl)c1O)=O |
| InChI | InChI=1S/C8H6ClNO3/c9-7-5-6(1-2-8(7)11)3-4-10(12)13/h1-5,11H |
| InChIK | QCJDGHZPLSAQMQ-UHFFFAOYSA-N |
| TotalMolweight | 199.593 |
| Molweight | 199.593 |
| MonoisotopicMass | 199.003621 |
| CLogP | 1.0301 |
| CLogS | -3.066 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 145.2 |
| Relative PSA | 0.29972 |
| PolarSurfaceArea | 66.05 |
| Druglikeness | -6.8042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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