Molecule

ID:105235

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₇NO₃
Molecular Mass
363.53408
Exact Mass
363.27734405
Charge
0
InChI
InChI=1S/C22H37NO3/c1-4-5-6-7-8-11-15-20(24)16-12-9-10-13-17-21(25)18-14-19-22(26)23(2)3/h8-13,16-17,20-21,24-25H,4-7,14-15,18-19H2,1-3H3
InChIKey
BBJRTSLPWQUASB-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/CC(/C=C/C=C/C=C/C(CCCC(=O)N(C)C)O)O
Isomeric Smiles
CCCCC/C=C/CC(O)/C=C/C=C/C=C/C(O)CCCC(=O)N(C)C
Calculated Properties
JChem
Acid pKa
17.72082
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.7659574
LogD (pH = 7.4)
3.765958
Log P
3.7659583
Molar Refractivity
114.6006
Polarizability
42.74056
Polar Surface Area
60.77
Rotatable Bonds
14
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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