Molecule

ID:69401

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKey
XIWBSOUNZWSFKU-SSDOTTSWSA-N
Canonic Smiles
CCOC(=O)[C@@H]1CCCNC1
Isomeric Smiles
C(=O)([C@@H]1CCCNC1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.586615
LogD (pH = 7.4)
-1.3031387
Log P
0.53884166
Molar Refractivity
42.439
Polarizability
17.03371
Polar Surface Area
38.33
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
References
Bioactivity
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