Molecule

ID:95161

General Information
Structure
Molecular Formula
C₁₄H₁₇F₂NO₄
Molecular Mass
301.2858864
Exact Mass
301.11256447
Charge
0
InChI
InChI=1S/C14H17F2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)6-8-4-9(15)7-10(16)5-8/h4-5,7,11H,6H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKey
CZBNUDVCRKSYDG-NSHDSACASA-N
Canonic Smiles
OC(=O)[C@H](Cc1cc(F)cc(c1)F)NC(=O)OC(C)(C)C
Isomeric Smiles
O(C(C)(C)C)C(=O)N[C@H](C(=O)O)Cc1cc(cc(c1)F)F
Calculated Properties
JChem
Acid pKa
3.6122477
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.9715747
LogD (pH = 7.4)
-0.4836129
Log P
2.8551164
Molar Refractivity
70.4221
Polarizability
27.031775
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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