Molecule

ID:23317

General Information
Structure
Molecular Formula
C₁₅H₁₅N₃O₂
Molecular Mass
269.2985
Exact Mass
269.11642674
Charge
0
InChI
InChI=1S/C15H15N3O2/c1-10(19)17-13-5-7-14(8-6-13)18-15(20)11-3-2-4-12(16)9-11/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKey
SWSQFYIDWSBGIT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)NC(=O)c1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1ccc(NC(=O)C)cc1)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
11.928227
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.472443
LogD (pH = 7.4)
1.4738842
Log P
1.473915
Molar Refractivity
81.1549
Polarizability
28.954206
Polar Surface Area
84.22
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