Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key JMQOBYJUDHTSFC-UHFFFAOYSA-N
Smiles CC(C)c1ccc(OP(O)(=O)Oc2cccc(c2)C(C)C)cc1
InChI
InChI=1S/C18H23O4P/c1-13(2)15-8-10-17(11-9-15)21-23(19,20)22-18-7-5-6-16(12-18)14(3)4/h5-14H,1-4H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23O4P1
Molecular Weight 334.13
AlogP 5.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 55.76
Heavy Atoms 23.0

Cross References

Resources Reference
NORMAN SUSDAT