Molecule

ID:117151

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇N
Molecular Mass
127.22728
Exact Mass
127.13609955
Charge
0
InChI
InChI=1S/C8H17N/c1-8(2,3)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3
InChIKey
LMVHALAYUBESJG-UHFFFAOYSA-N
Canonic Smiles
CC(C1CNCC1)(C)C
Isomeric Smiles
C(C1CNCC1)(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6315866
LogD (pH = 7.4)
-1.56569
Log P
1.6095268
Molar Refractivity
40.3307
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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