Molecule

ID:14529

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₃
Molecular Mass
157.16714
Exact Mass
157.07389322
Charge
0
InChI
InChI=1S/C7H11NO3/c9-6-2-1-4-8(6)5-3-7(10)11/h1-5H2,(H,10,11)
InChIKey
XOMYTIUVNSWEAI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCCC1=O
Isomeric Smiles
N1(C(=O)CCC1)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.3537836
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8153195
LogD (pH = 7.4)
-3.564131
Log P
-0.6409372
Molar Refractivity
37.9386
Polarizability
14.72032
Polar Surface Area
57.61
Rotatable Bonds
3
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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