Molecule

ID:43281

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₆
Molecular Mass
301.25094
Exact Mass
301.05863708
Charge
0
InChI
InChI=1S/C15H11NO6/c1-21-15(18)10-6-7-14(12(8-10)16(19)20)22-13-5-3-2-4-11(13)9-17/h2-9H,1H3
InChIKey
FNRLYNOJRFASRB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Oc1ccccc1C=O
Isomeric Smiles
c1(c(cccc1)Oc1ccc(cc1[N+](=O)[O-])C(=O)OC)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1294966
LogD (pH = 7.4)
3.1294966
Log P
3.1294966
Molar Refractivity
78.2328
Polarizability
28.915579
Polar Surface Area
98.42
Rotatable Bonds
6
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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