Molecule

ID:50199

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N
Molecular Mass
127.22728
Exact Mass
127.13609955
Charge
0
InChI
InChI=1S/C8H17N/c1-2-4-8-5-3-6-9-7-8/h8-9H,2-7H2,1H3
InChIKey
CRZUKKNUMNKBFJ-UHFFFAOYSA-N
Canonic Smiles
CCCC1CCCNC1
Isomeric Smiles
N1CC(CCC)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3227857
LogD (pH = 7.4)
-0.948727
Log P
1.9115978
Molar Refractivity
40.509
Polarizability
16.292534
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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