Molecule

ID:47455

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₇NO₅
Molecular Mass
419.55428
Exact Mass
419.26717329
Charge
0
InChI
InChI=1S/C24H37NO5/c1-22(2,3)15-10-11-19(17(12-15)23(4,5)6)29-16-13-18(20(26)27)25(14-16)21(28)30-24(7,8)9/h10-12,16,18H,13-14H2,1-9H3,(H,26,27)/t16-,18-/m0/s1
InChIKey
RDEKYDXQCWNYBV-WMZOPIPTSA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)OC(C)(C)C
Isomeric Smiles
[C@@H]1(C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)Oc1ccc(cc1C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9255908
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.8815794
LogD (pH = 7.4)
2.2624362
Log P
5.4626184
Molar Refractivity
115.969
Polarizability
45.68695
Polar Surface Area
76.07
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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