Molecule

ID:11291

General Information
Structure
Molecular Formula
C₁₄H₁₂N₂O₅
Molecular Mass
288.25548
Exact Mass
288.07462149
Charge
0
InChI
InChI=1S/C14H12N2O5/c1-15-11(17)10(12(18)16(2)14(15)21)7-8-3-5-9(6-4-8)13(19)20/h3-7H,1-2H3,(H,19,20)
InChIKey
AQSYFFQBGWKBLD-UHFFFAOYSA-N
Canonic Smiles
O=C1N(C)C(=O)C(=Cc2ccc(cc2)C(=O)O)C(=O)N1C
Isomeric Smiles
C1(=Cc2ccc(C(=O)O)cc2)C(=O)N(C(=O)N(C1=O)C)C
Calculated Properties
JChem
Acid pKa
4.066987
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.5569456
LogD (pH = 7.4)
-2.2310584
Log P
0.88833857
Molar Refractivity
73.1708
Polarizability
27.250673
Polar Surface Area
94.99
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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