Molecule

ID:103261

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₇NO₅
Molecular Mass
397.46418
Exact Mass
397.18892297
Charge
0
InChI
InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14?,20-/m0/s1
InChIKey
LZOLWEQBVPVDPR-LGTGAQBVSA-N
Canonic Smiles
O=C(N[C@@H](C(OC(C)(C)C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
CC(OC(C)(C)C)[C@H](NC(=O)OCC1c2c(cccc2)c2c1cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8729453
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.480286
LogD (pH = 7.4)
0.88470966
Log P
4.112068
Molar Refractivity
109.0964
Polarizability
43.894363
Polar Surface Area
84.86
Rotatable Bonds
8
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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