Molecule

ID:27164

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₃
Molecular Mass
260.28844
Exact Mass
260.11609238
Charge
0
InChI
InChI=1S/C14H16N2O3/c1-9-5-10(2)7-12(6-9)18-8-11-3-4-13(19-11)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKey
DZAXKEKCWHVSEQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(o1)COc1cc(C)cc(c1)C
Isomeric Smiles
c1(C(=O)NN)oc(cc1)COc1cc(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
11.896413
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1008213
LogD (pH = 7.4)
2.1012845
Log P
2.1013029
Molar Refractivity
73.0471
Polarizability
27.110094
Polar Surface Area
77.49
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