Molecule

ID:11644

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO₃
Molecular Mass
267.3639
Exact Mass
267.18344367
Charge
0
InChI
InChI=1S/C15H25NO3/c1-14(2)11(7-8-15(14,3)13(18)19)12(17)16-9-5-4-6-10-16/h11H,4-10H2,1-3H3,(H,18,19)
InChIKey
PIADNPDPQSZWDH-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC(C1(C)C)(C)C(=O)O)N1CCCCC1
Isomeric Smiles
C1(C(C(=O)O)(CCC1C(=O)N1CCCCC1)C)(C)C
Calculated Properties
JChem
Acid pKa
4.664431
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4081914
LogD (pH = 7.4)
-0.3695404
Log P
2.3021886
Molar Refractivity
72.7671
Polarizability
28.636408
Polar Surface Area
57.61
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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