Molecule
ID:14481
General Information
Molecular Formula
C₉H₁₀N₂O₃
Molecular Mass
194.1873
Exact Mass
194.06914219
Charge
0
InChI
InChI=1S/C9H10N2O3/c12-8(13)3-5-11-9(14)7-2-1-4-10-6-7/h1-2,4,6H,3,5H2,(H,11,14)(H,12,13)
InChIKey
YDXHLWILLGRTEB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCNC(=O)c1cccnc1
Isomeric Smiles
c1(C(=O)NCCC(=O)O)cccnc1
Calculated Properties
JChem
Acid pKa
3.3145475
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3195078
LogD (pH = 7.4)
-3.7849207
Log P
-1.1007004
Molar Refractivity
48.6602
Polarizability
18.387459
Polar Surface Area
79.29
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...