Molecule

ID:37550

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₄
Molecular Mass
267.32084
Exact Mass
267.14705816
Charge
0
InChI
InChI=1S/C14H21NO4/c1-14(2,3)19-13(18)15(8-9-16)10-11-6-4-5-7-12(11)17/h4-7,16-17H,8-10H2,1-3H3
InChIKey
CFFJQVJUCSKTGE-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(=O)OC(C)(C)C)Cc1ccccc1O
Isomeric Smiles
C(C)(C)(C)OC(=O)N(Cc1c(cccc1)O)CCO
Calculated Properties
JChem
Acid pKa
9.226424
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.8210393
LogD (pH = 7.4)
1.8147306
Log P
1.8211204
Molar Refractivity
72.5743
Polarizability
28.20051
Polar Surface Area
70.0
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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