Molecule

ID:77360

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₄
Molecular Mass
210.1867
Exact Mass
210.06405681
Charge
0
InChI
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1
InChIKey
YTHDRUZHNYKZGF-MRVPVSSYSA-N
Canonic Smiles
OC(=O)[C@@H](Cc1cccc(c1)[N+](=O)[O-])N
Isomeric Smiles
O=C([C@@H](Cc1cc(ccc1)[N+](=O)[O-])N)O
Calculated Properties
JChem
Acid pKa
1.1636113
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.2450111
LogD (pH = 7.4)
-1.2491598
Log P
-1.2450106
Molar Refractivity
52.441
Polarizability
19.838968
Polar Surface Area
109.14
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