4-(1H-Indol-3-yl)naphthalene-1,2-dione
Basic information
- CAS
150810-71-2- Standard SMILES
O=C1C=C(c2c[nH]c3ccccc23)c2ccccc2C1=O- InChIKey
JGGZODMUNMPWQU-UHFFFAOYSA-N- Molecular formula
- C18H11NO2
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.07897859
Names & identifiers
- Preferred name
- 4-(1H-Indol-3-yl)naphthalene-1,2-dione
- IUPAC
- 4-(1H-indol-3-yl)naphthalene-1,2-dione
Names & synonyms
4-(1H-Indol-3-yl)naphthalene-1,2-dione150810-71-2CHEMBL60707SCHEMBL8992461DTXSID90571456BDBM501157374-(1H-Indol-3-yl)-[1,2]naphthoquinone
Database identifiers
- CAS
150810-71-2- PubChem CID
- 15322751
- DTXSID
DTXSID90571456- ChEMBL
CHEMBL60707
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 495
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Compound notes
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