Molecule

ID:41208

General Information
Structure
Molecular Formula
C₁₅H₁₁NO₆
Molecular Mass
301.25094
Exact Mass
301.05863708
Charge
0
InChI
InChI=1S/C15H11NO6/c1-21-15(18)11-4-2-3-5-13(11)22-14-7-6-10(9-17)8-12(14)16(19)20/h2-9H,1H3
InChIKey
HZHQYQOTHWXLDR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1Oc1ccc(cc1[N+](=O)[O-])C=O
Isomeric Smiles
c1(c(Oc2c(C(=O)OC)cccc2)ccc(c1)C=O)[N+](=O)[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
28.915678
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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