Molecule

ID:65238

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO₃
Molecular Mass
255.3532
Exact Mass
255.18344367
Charge
0
InChI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(16)15-8-4-5-14(11-15)6-9-17-10-7-14/h4-11H2,1-3H3
InChIKey
QNFIHVHQIDWFOO-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC2(C1)CCOCC2)OC(C)(C)C
Isomeric Smiles
C12(CCOCC1)CN(CCC2)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8611381
LogD (pH = 7.4)
1.8611381
Log P
1.8611381
Molar Refractivity
70.2495
Polarizability
27.663013
Polar Surface Area
38.77
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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