(E)-Phenylacetaldehyde oxime
PubChem CID: 9638853
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| Compound Synonyms | (E)-phenylacetaldehyde oxime, (E)-phenylacetaldoxime, N-(2-Phenylethylidene)hydroxylamine, (1E)-phenylethanal oxime, 2-phenylacetaldehyde oxime, (1E)-phenylacetaldehyde oxime, (E)-2-Phenylacetaldehyde oxime, CHEBI:47793, 20268-21-7, N-[(1E)-2-phenylethylidene]hydroxylamine, N-((1E)-2-phenylethylidene)hydroxylamine, Benzeneacetaldehyde,oxime, SCHEMBL4869277, NSC203259, NSC-203259, (NE)-N-(2-phenylethylidene)hydroxylamine, CS-0256501, C19714, EN300-6492841, Q27104778 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | O/N=C/Ccccccc6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 106.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (NE)-N-(2-phenylethylidene)hydroxylamine |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H9NO |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | CXISHLWVCSLKOJ-VQHVLOKHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | (e)-phenylacetaldoxime |
| Esol Class | Soluble |
| Functional Groups | C/C=N/O |
| Compound Name | (E)-Phenylacetaldehyde oxime |
| Exact Mass | 135.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 135.16 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2/b9-7+ |
| Smiles | C1=CC=C(C=C1)C/C=N/O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Jasminum Azoricum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698457 - 2. Outgoing r'ship
FOUND_INto/from Jasminum Sambac (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698457