Molecule

ID:80365

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO
Molecular Mass
127.18422
Exact Mass
127.09971404
Charge
0
InChI
InChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3
InChIKey
BGDGMIWDPMJYPP-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(=O)C(C1)C
Isomeric Smiles
N1(CCC(=O)C(C1)C)C
Calculated Properties
JChem
Acid pKa
17.943378
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0328983
LogD (pH = 7.4)
0.4841738
Log P
0.71611905
Molar Refractivity
37.038
Polarizability
14.49175
Polar Surface Area
20.31
Rotatable Bonds
0
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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