Molecule

ID:130157

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₇NO₂
Molecular Mass
347.53468
Exact Mass
347.28242943
Charge
0
InChI
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3
InChIKey
DLHLOYYQQGSXCC-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCCN
Isomeric Smiles
O=C(OCCN)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.983023
LogD (pH = 7.4)
4.129463
Log P
5.936081
Molar Refractivity
112.6729
Polarizability
42.625507
Polar Surface Area
52.32
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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