Molecule

ID:136295

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₆ClNO₄
Molecular Mass
436.06864
Exact Mass
435.31153664
Charge
0
InChI
InChI=1S/C23H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4;/h21H,5-20H2,1-4H3;1H/t21-;/m1./s1
InChIKey
GAMKNLFIHBMGQT-ZMBIFBSDSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)O[C@@H](C[N+](C)(C)C)CC(=O)[O-].Cl
Isomeric Smiles
C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC.Cl
Calculated Properties
JChem
Acid pKa
4.216764
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7858472
LogD (pH = 7.4)
2.8038437
Log P
2.0335479
Molar Refractivity
137.0767
Polarizability
45.717808
Polar Surface Area
66.43
Rotatable Bonds
20
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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