Molecule

ID:4430

General Information
Structure
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Molecular Formula
C₂₀H₄₁NO₃
Molecular Mass
343.54444
Exact Mass
343.30864418
Charge
0
InChI
InChI=1S/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2/b10-9-;
InChIKey
KGWDUNBJIMUFAP-KVVVOXFISA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)O.NCCO
Isomeric Smiles
C(C/C=C\CCCCCCCC)CCCCCC(=O)O.OCCN
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.155865
LogD (pH = 7.4)
4.4022083
Log P
6.783798
Molar Refractivity
87.4022
Polarizability
34.16541
Polar Surface Area
37.3
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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