Molecule

ID:92438

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3
InChIKey
CCDBCHAQIXKJCG-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCC(=O)CC1)C
Isomeric Smiles
N1(CCC(=O)CC1)C(C)C
Calculated Properties
JChem
Acid pKa
17.825556
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.1100056
LogD (pH = 7.4)
0.55327415
Log P
0.9465158
Molar Refractivity
41.6309
Polarizability
16.334124
Polar Surface Area
20.31
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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