Molecule
ID:110470
General Information
Molecular Formula
C₁₇H₁₄N₂O₄
Molecular Mass
310.30406
Exact Mass
310.09535694
Charge
0
InChI
InChI=1S/C17H14N2O4/c1-2-23-17(20)16-15(11-6-4-3-5-7-11)13-10-12(19(21)22)8-9-14(13)18-16/h3-10,18H,2H2,1H3
InChIKey
RWWDKSRRVDTYNM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]
Isomeric Smiles
CCOC(=O)c1c(c2ccccc2)c2c([nH]1)ccc(c2)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
10.50944
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9394996
LogD (pH = 7.4)
3.9392073
Log P
3.9395034
Molar Refractivity
86.2568
Polarizability
34.623196
Polar Surface Area
87.91
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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