Molecule

ID:10744

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N
Molecular Mass
115.21658
Exact Mass
115.13609955
Charge
0
InChI
InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
InChIKey
XJINZNWPEQMMBV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCNC
Isomeric Smiles
CNCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2150784
LogD (pH = 7.4)
-0.86970264
Log P
2.0201578
Molar Refractivity
37.769
Polarizability
15.189125
Polar Surface Area
12.03
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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