Molecule

ID:23645

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆N₂O₄
Molecular Mass
334.41004
Exact Mass
334.18925732
Charge
0
InChI
InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)14-8-10-15(11-9-14)19-16(21)6-5-7-17(22)23/h8-11H,3-7,12-13H2,1-2H3,(H,19,21)(H,22,23)
InChIKey
FBSHPRZKTQFMCB-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)c1ccc(cc1)NC(=O)CCCC(=O)O)CCC
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CCCC(=O)O)cc1)N(CCC)CCC
Calculated Properties
JChem
Acid pKa
3.9814513
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.00963
LogD (pH = 7.4)
-0.6326359
Log P
2.5370407
Molar Refractivity
93.8323
Polarizability
35.149914
Polar Surface Area
86.71
Rotatable Bonds
10
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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