Molecule

ID:65936

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-3-9-4-2-8(1)5-7-6-10-7/h7H,1-6H2/t7-/m1/s1
InChIKey
KKWQCCPQBCHJBZ-SSDOTTSWSA-N
Canonic Smiles
O1CCN(CC1)C[C@@H]1CO1
Isomeric Smiles
C1CN(CCO1)C[C@@H]1CO1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.502022
LogD (pH = 7.4)
-0.2836005
Log P
-0.18706436
Molar Refractivity
37.8073
Polarizability
15.092001
Polar Surface Area
25.0
Rotatable Bonds
2
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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