Molecule

ID:60424

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N
Molecular Mass
127.22728
Exact Mass
127.13609955
Charge
0
InChI
InChI=1S/C8H17N/c1-2-8-4-3-6-9-7-5-8/h8-9H,2-7H2,1H3
InChIKey
TVTNCZUWGNRIOC-UHFFFAOYSA-N
Canonic Smiles
CCC1CCNCCC1
Isomeric Smiles
N1CCC(CC)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4029541
LogD (pH = 7.4)
-1.1078744
Log P
1.833644
Molar Refractivity
40.586
Polarizability
16.292534
Polar Surface Area
12.03
Rotatable Bonds
1
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
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References
Bioactivity
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