Molecule

ID:59824

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₃
Molecular Mass
244.28574
Exact Mass
244.10994437
Charge
0
InChI
InChI=1S/C15H16O3/c1-8-3-4-11-12(7-8)10-5-6-13(16)9(2)14(10)18-15(11)17/h5-6,8,16H,3-4,7H2,1-2H3
InChIKey
GOVCMCBRRHXKQX-UHFFFAOYSA-N
Canonic Smiles
CC1CCc2c(C1)c1ccc(c(c1oc2=O)C)O
Isomeric Smiles
c12c(c(=O)oc3c1ccc(c3C)O)CCC(C2)C
Calculated Properties
JChem
Acid pKa
8.211479
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.399753
LogD (pH = 7.4)
3.3386462
Log P
3.4005914
Molar Refractivity
69.1582
Polarizability
26.544529
Polar Surface Area
46.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation