Molecule

ID:33258

General Information
Structure
Molecular Formula
C₁₄H₁₀N₂O₄
Molecular Mass
270.2402
Exact Mass
270.06405681
Charge
0
InChI
InChI=1S/C14H10N2O4/c1-8(17)15-11-6-10-9-4-2-3-5-13(9)20-14(10)7-12(11)16(18)19/h2-7H,1H3,(H,15,17)
InChIKey
NLPYRTDNEMYVHY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])oc1c2cccc1
Isomeric Smiles
o1c2c(cccc2)c2c1cc(c(c2)NC(=O)C)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
11.714242
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3289413
LogD (pH = 7.4)
2.3289216
Log P
2.3289416
Molar Refractivity
73.4145
Polarizability
28.95966
Polar Surface Area
88.06
Rotatable Bonds
2
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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