Molecule

ID:25735

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂O₃
Molecular Mass
298.37618
Exact Mass
298.15689456
Charge
0
InChI
InChI=1S/C19H22O3/c1-18(2,14-8-6-5-7-9-14)15-10-12-16(13-11-15)22-19(3,4)17(20)21/h5-13H,1-4H3,(H,20,21)
InChIKey
MGQNICQOOANLCD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc(cc1)C(c1ccccc1)(C)C)(C)C
Isomeric Smiles
C(C(=O)O)(Oc1ccc(C(c2ccccc2)(C)C)cc1)(C)C
Calculated Properties
JChem
Acid pKa
3.873392
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.342597
LogD (pH = 7.4)
1.7468137
Log P
4.973948
Molar Refractivity
97.0683
Polarizability
33.920914
Polar Surface Area
46.53
Rotatable Bonds
5
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