Molecule

ID:103866

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₁N₃O₄
Molecular Mass
341.44574
Exact Mass
341.23145649
Charge
0
InChI
InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)
InChIKey
JNTMAZFVYNDPLB-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)O)NC(=O)C1CCCN1C(=O)C(C(CC)C)N)C
Isomeric Smiles
CCC(C)C(N)C(=O)N1CCCC1C(=O)NC(C(C)CC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5953424
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.9808482
LogD (pH = 7.4)
-1.0360115
Log P
-0.97957426
Molar Refractivity
89.9744
Polarizability
35.810993
Polar Surface Area
112.73
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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