Molecule

ID:58555

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅NO₅
Molecular Mass
335.3948
Exact Mass
335.17327291
Charge
0
InChI
InChI=1S/C18H25NO5/c1-18(2,3)24-17(22)19-10-4-5-13(11-19)12-23-15-8-6-14(7-9-15)16(20)21/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKey
OXAINLRKRAAVQO-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC(C1)COc1ccc(cc1)C(=O)O)OC(C)(C)C
Isomeric Smiles
C1CN(CC(C1)COc1ccc(cc1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.362035
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7355483
LogD (pH = 7.4)
-0.014709012
Log P
2.9022663
Molar Refractivity
89.6481
Polarizability
34.794807
Polar Surface Area
76.07
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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