Molecule

ID:10668

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N
Molecular Mass
115.21658
Exact Mass
115.13609955
Charge
0
InChI
InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3
InChIKey
CWYZDPHNAGSFQB-UHFFFAOYSA-N
Canonic Smiles
CCCNCCCC
Isomeric Smiles
CCCCNCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2274328
LogD (pH = 7.4)
-0.98160595
Log P
2.010351
Molar Refractivity
37.8396
Polarizability
15.189125
Polar Surface Area
12.03
Rotatable Bonds
5
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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