Molecule

ID:134323

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉F₃N₂O₅
Molecular Mass
388.3383696
Exact Mass
388.12460638
Charge
0
InChI
InChI=1S/C15H18N2O3.C2HF3O2/c1-8(2)14(16)15(19)17-10-4-5-12-11(7-10)9(3)6-13(18)20-12;3-2(4,5)1(6)7/h4-8,14H,16H2,1-3H3,(H,17,19);(H,6,7)/t14-;/m0./s1
InChIKey
MCHFEDCKESEFSO-UQKRIMTDSA-N
Canonic Smiles
OC(=O)C(F)(F)F.CC([C@@H](C(=O)Nc1ccc2c(c1)c(C)cc(=O)o2)N)C
Isomeric Smiles
Cc1cc(=O)oc2c1cc(cc2)NC(=O)[C@H](C(C)C)N.C(=O)(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
13.494696
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7809835
LogD (pH = 7.4)
0.8569839
Log P
1.8525943
Molar Refractivity
77.5428
Polarizability
29.470749
Polar Surface Area
81.42
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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