Molecule

ID:21272

General Information
Structure
Molecular Formula
C₁₆H₁₉ClFNO₅
Molecular Mass
359.7771632
Exact Mass
359.09357861
Charge
0
InChI
InChI=1S/C16H19ClFNO5/c1-16(2,3)24-15(22)19-8-10(7-12(19)14(20)21)23-13-6-9(18)4-5-11(13)17/h4-6,10,12H,7-8H2,1-3H3,(H,20,21)/t10-,12-/m0/s1
InChIKey
DMTRTXTXRRTDRR-JQWIXIFHSA-N
Canonic Smiles
Fc1ccc(c(c1)O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)Cl
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1cc(ccc1Cl)F
Calculated Properties
JChem
Acid pKa
3.559474
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1848228
LogD (pH = 7.4)
-0.23750393
Log P
3.1192522
Molar Refractivity
83.6584
Polarizability
32.87987
Polar Surface Area
76.07
Rotatable Bonds
5
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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