EXIFONE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 38K9TOD4EG

Structure
InChI Key XEDWWPGWIXPVRQ-UHFFFAOYSA-N
Smile O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O
InChI
InChI=1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10O7
Molecular Weight 278.22
AlogP 1.15
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 138.45
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 125609
ChEMBL CHEMBL329522
EPA CompTox DTXSID9044950
FDA SRS 38K9TOD4EG
PubChem 40399
SureChEMBL SCHEMBL273096
ZINC ZINC000003775294
CONTENTS