Molecule

ID:21236

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇NO₆
Molecular Mass
365.42078
Exact Mass
365.18383759
Charge
0
InChI
InChI=1S/C19H27NO6/c1-5-10-24-13-6-8-14(9-7-13)25-15-11-16(17(21)22)20(12-15)18(23)26-19(2,3)4/h6-9,15-16H,5,10-12H2,1-4H3,(H,21,22)/t15-,16-/m0/s1
InChIKey
QNSMXNTWKUQCSH-HOTGVXAUSA-N
Canonic Smiles
CCCOc1ccc(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)OCCC
Calculated Properties
JChem
Acid pKa
3.5217328
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.1233934
LogD (pH = 7.4)
-0.2746158
Log P
3.0941648
Molar Refractivity
94.373
Polarizability
37.364677
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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