Molecule

ID:45429

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-19-12-6-3-10(4-7-12)15(18)17-13-8-5-11(16)9-14(13)20-2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
FUZYSKTXEVKACX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1NC(=O)c1ccc(cc1)OC
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)OC)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
12.046751
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9163193
LogD (pH = 7.4)
1.9207953
Log P
1.9208621
Molar Refractivity
79.2183
Polarizability
29.112846
Polar Surface Area
73.58
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