Molecule

ID:21265

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇NO₆
Molecular Mass
365.42078
Exact Mass
365.18383759
Charge
0
InChI
InChI=1S/C19H27NO6/c1-19(2,3)26-18(23)20-12-15(11-16(20)17(21)22)25-14-7-5-13(6-8-14)9-10-24-4/h5-8,15-16H,9-12H2,1-4H3,(H,21,22)/t15-,16-/m0/s1
InChIKey
PRHIWKFRRWQFOQ-HOTGVXAUSA-N
Canonic Smiles
COCCc1ccc(cc1)O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1ccc(cc1)CCOC
Calculated Properties
JChem
Acid pKa
3.711967
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.7496985
LogD (pH = 7.4)
-0.76366884
Log P
2.5369437
Molar Refractivity
94.9593
Polarizability
37.30455
Polar Surface Area
85.3
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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