Molecule

ID:4183

General Information
Structure
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Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c7-6(5(8)9)3-1-2-4-6/h1-4,7H2,(H,8,9)
InChIKey
NILQLFBWTXNUOE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(N)CCCC1
Isomeric Smiles
NC1(CCCC1)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.83
LogD (pH = 5.5)
-1.83
Log P
-1.83
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.48
Polar Surface Area
63.32
Polarizability
13.23
Molar Refractivity
32.46
LOG S
-0.61
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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