Molecule

ID:11072

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-18-13-7-6-10(12(15)8-14(16)17)9-4-2-3-5-11(9)13/h2-7,12H,8,15H2,1H3,(H,16,17)
InChIKey
OPRZIKIUFPFNQS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c2c1cccc2)C(CC(=O)O)N
Isomeric Smiles
c1(c2c(c(cc1)OC)cccc2)C(CC(=O)O)N
Calculated Properties
JChem
Acid pKa
3.9151337
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.56612724
LogD (pH = 7.4)
-0.5579637
Log P
-0.55755806
Molar Refractivity
67.899
Polarizability
27.913717
Polar Surface Area
72.55
Rotatable Bonds
4
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