ABTL-0812

Search structure


Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	0DE74TJ7EZ

Structure


InChI Key	AFDSETGKYZMEEA-UHFFFAOYSA-N
Smile	CCCCCC=CCC=CCCCCCCC(O)C(=O)O
InChI	InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H32O3
Molecular Weight	296.45
AlogP	4.86
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	57.53
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	21.0

Cross References

Resources	Reference
ChEMBL	CHEMBL4297343
FDA SRS	0DE74TJ7EZ
PubChem	21158511

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