Molecule

ID:89055

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅NO₄
Molecular Mass
319.3954
Exact Mass
319.17835829
Charge
0
InChI
InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-10-8-16(9-11-19)22-13-15-6-4-14(12-20)5-7-15/h4-7,12,16H,8-11,13H2,1-3H3
InChIKey
WQFHJESQGSVMDW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)COC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
O(C1CCN(CC1)C(=O)OC(C)(C)C)Cc1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.488476
LogD (pH = 7.4)
2.488476
Log P
2.488476
Molar Refractivity
89.3606
Polarizability
34.346375
Polar Surface Area
55.84
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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