Molecule

ID:42803

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO₅
Molecular Mass
233.17698
Exact Mass
233.03242233
Charge
0
InChI
InChI=1S/C11H7NO5/c13-11(14)4-2-9-6-7-5-8(12(15)16)1-3-10(7)17-9/h1-6H,(H,13,14)/b4-2+
InChIKey
JMNMWGHQIABWLM-DUXPYHPUSA-N
Canonic Smiles
OC(=O)/C=C/c1cc2c(o1)ccc(c2)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc2cc(oc2cc1)/C=C/C(=O)O)[O-]
Calculated Properties
JChem
Acid pKa
3.0638957
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.24881026
LogD (pH = 7.4)
-1.3113027
Log P
2.155195
Molar Refractivity
59.1032
Polarizability
22.486185
Polar Surface Area
96.26
Rotatable Bonds
3
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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