Molecule

ID:69348

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₇NO₅
Molecular Mass
337.41068
Exact Mass
337.18892297
Charge
0
InChI
InChI=1S/C18H27NO5/c1-17(2,3)23-13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)24-18(4,5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKey
ZEQLLMOXFVKKCN-AWEZNQCLSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1)OC(C)(C)C
Isomeric Smiles
C(=O)([C@H](Cc1ccc(cc1)OC(C)(C)C)NC(=O)OC(C)(C)C)O
Calculated Properties
JChem
Acid pKa
3.5578377
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.529995
LogD (pH = 7.4)
0.10870845
Log P
3.4660008
Molar Refractivity
90.2581
Polarizability
35.539787
Polar Surface Area
84.86
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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