Molecule

ID:3784

General Information
Structure
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKey
OMOMUFTZPTXCHP-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(=O)N)CCC
Isomeric Smiles
CCCC(CCC)C(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
1.99
LogD (pH = 5.5)
1.99
Log P
1.99
Rotatable Bonds
5
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.06
Polar Surface Area
43.09
Polarizability
17.39
Molar Refractivity
42.07
LOG S
-2.52
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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