Molecule

ID:35149

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₄
Molecular Mass
311.33188
Exact Mass
311.11575803
Charge
0
InChI
InChI=1S/C18H17NO4/c1-23-15-8-4-7-13(9-15)17(20)19-11-14-6-3-2-5-12(14)10-16(19)18(21)22/h2-9,16H,10-11H2,1H3,(H,21,22)
InChIKey
WZJWIGCQPGNHIA-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)N1Cc2ccccc2CC1C(=O)O
Isomeric Smiles
N1(C(=O)c2cc(OC)ccc2)C(Cc2c(C1)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5580702
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6320761
LogD (pH = 7.4)
-0.78935146
Log P
2.5678682
Molar Refractivity
85.1451
Polarizability
32.427998
Polar Surface Area
66.84
Rotatable Bonds
3
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