RANELIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K9CCS0RIBT

Structure
InChI Key DJSXNILVACEBLP-UHFFFAOYSA-N
Smile N#Cc1c(N(CC(=O)O)CC(=O)O)sc(C(=O)O)c1CC(=O)O
InChI
InChI=1S/C12H10N2O8S/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10N2O8S
Molecular Weight 342.29
AlogP -0.08
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 176.23
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL2107175
EPA CompTox DTXSID3048237
FDA SRS K9CCS0RIBT
PubChem 3052774
SureChEMBL SCHEMBL500994
ZINC ZINC000003924950
CONTENTS