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Basic information
- Standard SMILES
O=C1c2ccccc2OCC12OC21C=CC(Cl)=CC1- InChIKey
CRBUDKIYSKYRSV-UHFFFAOYSA-N- Molecular formula
- C15H11ClO3
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0396719
Names & identifiers
- Preferred name
- CID 399092
Names & synonyms
NSC709508CHEMBL1978496NSC-709508NCI60_038634
Database identifiers
- PubChem CID
- 399092
- ChEMBL
CHEMBL1978496
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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