Molecule

ID:91010

General Information
Structure
Molecular Formula
C₁₅H₂₉NO₅
Molecular Mass
303.39446
Exact Mass
303.20457303
Charge
0
InChI
InChI=1S/C15H29NO5/c1-6-19-15(20-7-2)8-9-16(12(10-15)11-17)13(18)21-14(3,4)5/h12,17H,6-11H2,1-5H3/t12-/m1/s1
InChIKey
IWAWSJXEVHALDS-GFCCVEGCSA-N
Canonic Smiles
CCOC1(OCC)CCN([C@H](C1)CO)C(=O)OC(C)(C)C
Isomeric Smiles
O(C1(OCC)CCN(C(=O)OC(C)(C)C)[C@H](C1)CO)CC
Calculated Properties
JChem
Acid pKa
15.08071
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.008911
LogD (pH = 7.4)
2.008911
Log P
2.008911
Molar Refractivity
79.015
Polarizability
31.587336
Polar Surface Area
68.23
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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