Molecule

ID:5287

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₉NO
Molecular Mass
215.37546
Exact Mass
215.22491455
Charge
0
InChI
InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3
InChIKey
OZHBUVQCJMARBN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC[N+](C)(C)[O-]
Isomeric Smiles
[N+]([O-])(C)(C)CCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4982197
LogD (pH = 7.4)
3.5016286
Log P
3.501674
Molar Refractivity
68.1136
Polarizability
26.340405
Polar Surface Area
26.88
Rotatable Bonds
10
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.78
LOG S
-5.88
Solubility (Water)
2.84e-04 g/l
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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