Molecule

ID:64427

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)5-6-1-3-7(4-2-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKey
GTVVZTAFGPQSPC-QMMMGPOBSA-N
Canonic Smiles
OC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])N
Isomeric Smiles
[N+](=O)(c1ccc(C[C@@H](C(=O)O)N)cc1)[O-]
Calculated Properties
JChem
Acid pKa
1.3173244
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.2449989
LogD (pH = 7.4)
-1.2493663
Log P
-1.2450117
Molar Refractivity
51.4368
Polarizability
19.838934
Polar Surface Area
106.46
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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