Molecule

ID:35033

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇N₃O₂
Molecular Mass
295.33578
Exact Mass
295.1320768
Charge
0
InChI
InChI=1S/C17H17N3O2/c1-10-6-4-5-7-13(10)8-14-11(2)19-16-15(17(21)22)9-18-20(16)12(14)3/h4-7,9H,8H2,1-3H3,(H,21,22)
InChIKey
UOFDVGIFEPSYOA-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2c(cnn2c(c1Cc1ccccc1C)C)C(=O)O
Isomeric Smiles
c12n(c(c(c(n2)C)Cc2c(C)cccc2)C)ncc1C(=O)O
Calculated Properties
JChem
Acid pKa
3.4706995
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2249031
LogD (pH = 7.4)
-0.13780726
Log P
3.2467024
Molar Refractivity
95.5494
Polarizability
31.376875
Polar Surface Area
67.49
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