Molecule

ID:88314

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7H,2-3,6,12H2,1H3,(H,13,14)
InChIKey
FEDSDLQMPFVLML-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1N)C(=O)O
Isomeric Smiles
O=C(c1cc(c(cc1)OCCCC)N)O
Calculated Properties
JChem
Acid pKa
5.0773225
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3789648
LogD (pH = 7.4)
-0.3555501
Log P
1.8167378
Molar Refractivity
58.3514
Polarizability
21.850836
Polar Surface Area
72.55
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