Urea, N-nitroso-N-phenyl-
PubChem CID: 22649
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| Compound Synonyms | 1-nitroso-1-phenylurea, UREA, N-NITROSO-N-PHENYL-, Urea, 1-nitroso-1-phenyl-, 6268-32-2, EI3CV902WD, NSC-36238, NSC 36238, BRN 1841800, N-nitrosophenylurea, NSC36238, UNII-EI3CV902WD, N1-Nitroso-N1-phenyl-urea, N-NITROSO-N-PHENYLUREA, SCHEMBL1096892, DTXSID00211735, AKOS006276786 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 75.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | O=NNcccccc6))))))C=O)N |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | N-phenylureas |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-nitroso-1-phenylurea |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H7N3O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | ZJIKTJCGLLUNIJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | urea,n-nitroso-n-phenyl- |
| Esol Class | Very soluble |
| Functional Groups | cN(N=O)C(N)=O |
| Compound Name | Urea, N-nitroso-N-phenyl- |
| Exact Mass | 165.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.054 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 165.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H7N3O2/c8-7(11)10(9-12)6-4-2-1-3-5-6/h1-5H,(H2,8,11) |
| Smiles | C1=CC=C(C=C1)N(C(=O)N)N=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.793975