Molecule

ID:3615

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆N+
Molecular Mass
208.36294
Exact Mass
208.20652484
Charge
1
InChI
InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1
InChIKey
GGPFTSMJRHEOJG-CQSZACIVSA-O
Canonic Smiles
CC(=CCC[N@@H+]([C@H]1CCC(=CC1)C)C)C
Isomeric Smiles
C[N@@H+](CCC=C(C)C)[C@H]1CCC(=CC1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.029807078
LogD (pH = 7.4)
0.48574343
Log P
3.520787
Molar Refractivity
81.291
Polarizability
26.83406
Polar Surface Area
4.44
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
0.38
LOG S
-5.03
Solubility (Water)
2.28e-03 g/l
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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