Molecule
ID:62144
General Information
Molecular Formula
C₂₀H₂₇NO₆
Molecular Mass
377.43148
Exact Mass
377.18383759
Charge
0
InChI
InChI=1S/C20H27NO6/c1-20(2,3)27-19(24)21-11-15(13-7-6-8-14(9-13)25-4)16(12-21)17(22)10-18(23)26-5/h6-9,15-16H,10-12H2,1-5H3
InChIKey
GHULGCPYLOPNRQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CN(CC1c1cccc(c1)OC)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(C(C1)c1cc(OC)ccc1)C(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
11.37356
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8169503
LogD (pH = 7.4)
2.8169048
Log P
2.5836177
Molar Refractivity
99.0095
Polarizability
38.84489
Polar Surface Area
82.14
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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