Molecule

ID:11646

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₃
Molecular Mass
255.3532
Exact Mass
255.18344367
Charge
0
InChI
InChI=1S/C14H25NO3/c1-6-15(7-2)11(16)10-8-9-14(5,12(17)18)13(10,3)4/h10H,6-9H2,1-5H3,(H,17,18)
InChIKey
FRNYPAJLMPCHQD-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCC(C1(C)C)(C)C(=O)O)CC
Isomeric Smiles
C1C(C(C(C1)(C)C(=O)O)(C)C)C(=O)N(CC)CC
Calculated Properties
JChem
Acid pKa
4.7497635
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3448286
LogD (pH = 7.4)
-0.4319413
Log P
2.1654384
Molar Refractivity
70.1223
Polarizability
27.520952
Polar Surface Area
57.61
Rotatable Bonds
4
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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