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Basic information
- Standard SMILES
COc1ccc(CC(C#N)c2cc(OC)c(OC)c(OC)c2)cc1- InChIKey
SBMZSVIBRCQFRR-UHFFFAOYSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- Antineoplastic-638479
- IUPAC
- 3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)propanenitrile
Names & synonyms
NSC638479Neuro_000294CHEMBL311846SCHEMBL9186240ANTINEOPLASTIC-638479NSC-638479NCI60_012864
Database identifiers
- PubChem CID
- 368136
- ChEMBL
CHEMBL311846- Nikkaji
- J490.062F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
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Compound notes
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