Molecule

ID:3052

General Information
Structure
Molecular Formula
C₁₇H₁₄N₂O₄
Molecular Mass
310.30406
Exact Mass
310.09535694
Charge
0
InChI
InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)
InChIKey
RTBMLCLTYAPKIF-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)C(C(=O)N1)(C)c1ccc(cc1)Oc1ccccc1
Isomeric Smiles
N1C(=O)NC(=O)C(C1=O)(C)c1ccc(cc1)Oc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.02
LogD (pH = 5.5)
2.45
Log P
2.46
Rotatable Bonds
3
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.14
Polar Surface Area
84.50
Polarizability
30.39
Molar Refractivity
81.39
LOG S
-3.67
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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