Molecule

ID:84998

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₅
Molecular Mass
275.25672
Exact Mass
275.07937252
Charge
0
InChI
InChI=1S/C14H13NO5/c1-14(9-8-13(17)20-14)12(16)7-4-10-2-5-11(6-3-10)15(18)19/h2-7H,8-9H2,1H3
InChIKey
CLFNMMZWWBGEOG-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(O1)(C)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)/C=C/C(=O)C1(OC(=O)CC1)C)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9012985
LogD (pH = 7.4)
2.9012985
Log P
2.9012985
Molar Refractivity
72.1433
Polarizability
26.92399
Polar Surface Area
89.19
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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