Molecule

ID:30680

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₃
Molecular Mass
318.41064
Exact Mass
318.1943427
Charge
0
InChI
InChI=1S/C18H26N2O3/c1-2-16-5-3-4-12-20(16)13-14-6-8-15(9-7-14)19-17(21)10-11-18(22)23/h6-9,16H,2-5,10-13H2,1H3,(H,19,21)(H,22,23)
InChIKey
ZMUDKKJNQULOGV-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1Cc1ccc(cc1)NC(=O)CCC(=O)O
Isomeric Smiles
N1(Cc2ccc(NC(=O)CCC(=O)O)cc2)C(CC)CCCC1
Calculated Properties
JChem
Acid pKa
3.7595527
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.029609874
LogD (pH = 7.4)
0.033960205
Log P
0.035086468
Molar Refractivity
91.4418
Polarizability
34.92862
Polar Surface Area
69.64
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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