Molecule

ID:63273

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-4-6(5-7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t6-,7+
InChIKey
KLCYDBAYYYVNFM-KNVOCYPGSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@H]1C[C@@H](C1)C(=O)O
Isomeric Smiles
C(=O)(OC(C)(C)C)N[C@H]1C[C@@H](C(=O)O)C1
Calculated Properties
JChem
Acid pKa
4.406641
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.1259426
LogD (pH = 7.4)
-1.8833578
Log P
0.99951625
Molar Refractivity
52.8439
Polarizability
20.932104
Polar Surface Area
75.63
Rotatable Bonds
4
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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