Molecule

ID:77178

General Information
Structure
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-11-8-6-5-7-10(11)9-12(16)13(17)19-4/h5-9H,1-4H3
InChIKey
UJVYYFYNECMKRA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c(n1C(=O)OC(C)(C)C)cccc2
Isomeric Smiles
n1(C(=O)OC(C)(C)C)c(cc2ccccc12)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.988546
LogD (pH = 7.4)
2.988546
Log P
2.988546
Molar Refractivity
73.7468
Polarizability
29.914083
Polar Surface Area
57.53
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