Molecule

ID:74467

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N
Molecular Mass
115.21658
Exact Mass
115.13609955
Charge
0
InChI
InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3
InChIKey
VSRBKQFNFZQRBM-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(N)C
Isomeric Smiles
NC(CCCCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0235083
LogD (pH = 7.4)
-0.727207
Log P
2.0041525
Molar Refractivity
37.4132
Polarizability
15.189125
Polar Surface Area
26.02
Rotatable Bonds
4
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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