Molecule

ID:51815

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₃
Molecular Mass
173.2096
Exact Mass
173.10519335
Charge
0
InChI
InChI=1S/C8H15NO3/c1-2-12-8(11)9-5-3-4-7(10)6-9/h7,10H,2-6H2,1H3
InChIKey
NVDAHZBUGRZLMM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCCC(C1)O
Isomeric Smiles
N1(C(=O)OCC)CC(O)CCC1
Calculated Properties
JChem
Acid pKa
14.863168
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16862541
LogD (pH = 7.4)
0.1686254
Log P
0.16862541
Molar Refractivity
44.135
Polarizability
17.315302
Polar Surface Area
49.77
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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