Molecule

ID:71395

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c8-5(9)7(6(10)11)3-1-2-4-7/h1-4H2,(H2,8,9)(H,10,11)
InChIKey
LYNLJRWPCQRLBT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1(CCCC1)C(=O)O
Isomeric Smiles
C1(C(=O)N)(C(=O)O)CCCC1
Calculated Properties
JChem
Acid pKa
3.9454854
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1755335
LogD (pH = 7.4)
-2.8031464
Log P
0.38635212
Molar Refractivity
37.2853
Polarizability
14.72032
Polar Surface Area
80.39
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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