Molecule

ID:23673

General Information
Structure
Molecular Formula
C₁₉H₂₆N₂O₄
Molecular Mass
346.42074
Exact Mass
346.18925732
Charge
0
InChI
InChI=1S/C19H26N2O4/c1-2-3-12-20-17(22)13-8-10-14(11-9-13)21-18(23)15-6-4-5-7-16(15)19(24)25/h8-11,15-16H,2-7,12H2,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
KERRPESALMNMIU-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(=O)c1ccc(cc1)NC(=O)C1CCCCC1C(=O)O
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1ccc(C(=O)NCCCC)cc1
Calculated Properties
JChem
Acid pKa
4.0604095
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.493825
LogD (pH = 7.4)
-0.1779945
Log P
2.9454184
Molar Refractivity
96.2118
Polarizability
36.26575
Polar Surface Area
95.5
Rotatable Bonds
7
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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