2-Amino-1,4-naphthoquinone
PubChem CID: 72909
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| Compound Synonyms | 2-aminonaphthalene-1,4-dione, 2348-81-4, 2-Amino-1,4-naphthoquinone, 1,4-Naphthalenedione, 2-amino-, 2-Aminonaphthoquinone, 1,4-Naphthoquinone, 2-amino-, NSC-7936, 7GHA3V7I78, NSC 7936, MFCD00795986, DTXSID6062337, 2-AMINO-1,4-DIHYDRO-1,4-DIOXONAPHTHALENE, KSC-293-036B, 2-amino-1,4-dihydronaphthalene-1,4-dione, UNII-7GHA3V7I78, Amino-naphtochinon, NSC7936, Amino-1,4-naphthoquinone, Amino-naphtochinon [German], 3-amino-1,4-naphthoquinone, 1,4-Naphthoquinone, amino-, MLS004556031, SCHEMBL228360, 2-amino-1,4-naphthalenedione, CHEMBL415711, 2-amino-naphthalene-1,4-dione, DTXCID2036877, NIOSH/QL7300000, HMS1665I03, KUC111359N, AC1533, CCG-46633, 1,4-Naphthoquinone, 2-amino-(8CI), AKOS006344506, KUC111359N-02, AC-29928, CS-12429, SMR003351906, SY058409, DB-181927, CS-0314186, Naphthalene-1,4(1H,4H)-dione, 2-amino-, NS00067721, QL73000000, AE-473/30515023, SR-01000636319-1, Q27268252 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 60.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C2CCCCC12 |
| Np Classifier Class | Naphthoquinones |
| Deep Smiles | O=CC=CN)C=O)cc6cccc6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Naphthalenes |
| Scaffold Graph Node Level | OC1CCC(O)C2CCCCC12 |
| Classyfire Subclass | Naphthoquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-aminonaphthalene-1,4-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H7NO2 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)c2ccccc21 |
| Inchi Key | CYCRZLRIJWDWCM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-aminonaphthaquinone, 2-aminonaphthoquinone |
| Esol Class | Soluble |
| Functional Groups | NC1=CC(=O)ccC1=O |
| Compound Name | 2-Amino-1,4-naphthoquinone |
| Exact Mass | 173.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 173.048 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 173.17 |
| 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/C10H7NO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,11H2 |
| Smiles | C1=CC=C2C(=C1)C(=O)C=C(C2=O)N |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Naphthalenes |
- 1. Outgoing r'ship
FOUND_INto/from Holoptelea Integrifolia (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788171360536