Molecule

ID:59935

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₄
Molecular Mass
271.3526
Exact Mass
271.17835829
Charge
0
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-10-14(9-11(16)17)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
YOOHANJKYCQHED-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCC1(CCCCC1)CC(=O)O
Isomeric Smiles
C(=O)(NCC1(CC(=O)O)CCCCC1)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.6864853
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6085014
LogD (pH = 7.4)
-0.16936053
Log P
2.4832494
Molar Refractivity
71.2013
Polarizability
28.24244
Polar Surface Area
75.63
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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