Molecule

ID:77359

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₄
Molecular Mass
210.1867
Exact Mass
210.06405681
Charge
0
InChI
InChI=1S/C9H10N2O4/c10-7(9(12)13)5-6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1
InChIKey
SDZGVFSSLGTJAJ-ZETCQYMHSA-N
Canonic Smiles
OC(=O)[C@H](Cc1ccccc1[N+](=O)[O-])N
Isomeric Smiles
O=C([C@H](Cc1c(cccc1)[N+](=O)[O-])N)O
Calculated Properties
JChem
Acid pKa
1.1713606
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.2450142
LogD (pH = 7.4)
-1.2505673
Log P
-1.2450018
Molar Refractivity
52.441
Polarizability
19.839172
Polar Surface Area
109.14
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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