Molecule

ID:39470

General Information
Structure
Molecular Formula
C₁₄H₂₅NO₄
Molecular Mass
271.3526
Exact Mass
271.17835829
Charge
0
InChI
InChI=1S/C14H25NO4/c1-14(2,3)19-13(18)15-9-7-11(8-10-15)5-4-6-12(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKey
OAFRZYWOCMCWMM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)CCCC(=O)O)OC(C)(C)C
Isomeric Smiles
C1N(CCC(C1)CCCC(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.3784847
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0896947
LogD (pH = 7.4)
-0.66333073
Log P
2.241164
Molar Refractivity
71.8475
Polarizability
28.24244
Polar Surface Area
66.84
Rotatable Bonds
6
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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