Molecule

ID:30628

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c9-6-3-1-5(8-6)2-4-7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKey
CSBJIXVKDCZBPF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1CCC(=O)N1
Isomeric Smiles
N1C(=O)CCC1CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.3709908
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.6745985
LogD (pH = 7.4)
-3.426381
Log P
-0.516185
Molar Refractivity
37.4671
Polarizability
14.72032
Polar Surface Area
66.4
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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