Molecule

ID:134003

General Information
Structure
MolImage
Molecular Formula
C₂₇H₂₉N₃O₇
Molecular Mass
507.53506
Exact Mass
507.20055028
Charge
0
InChI
InChI=1S/C27H29N3O7/c28-22(13-16-1-7-19(31)8-2-16)25(34)29-23(14-17-3-9-20(32)10-4-17)26(35)30-24(27(36)37)15-18-5-11-21(33)12-6-18/h1-12,22-24,31-33H,13-15,28H2,(H,29,34)(H,30,35)(H,36,37)
InChIKey
RMRFSFXLFWWAJZ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)CC(C(=O)NC(C(=O)O)Cc1ccc(cc1)O)NC(=O)C(Cc1ccc(cc1)O)N
Isomeric Smiles
c1cc(ccc1CC(C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(Cc1ccc(cc1)O)C(=O)O)N)O
Calculated Properties
JChem
Acid pKa
3.3901594
H Acceptors
8
H Donor
7
LogD (pH = 5.5)
0.14224221
LogD (pH = 7.4)
-0.017255548
Log P
0.13875577
Molar Refractivity
134.8918
Polarizability
52.395245
Polar Surface Area
182.21
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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