Molecule

ID:97897

General Information
Structure
Molecular Formula
C₁₄H₁₈FNO₂
Molecular Mass
251.2966232
Exact Mass
251.13215704
Charge
0
InChI
InChI=1S/C14H18FNO2/c1-13(2,3)18-12(17)16-14(8-9-14)10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKey
PTZOXKNJLGYVEX-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CC1)c1ccccc1F)OC(C)(C)C
Isomeric Smiles
N(C1(c2ccccc2F)CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
13.225274
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1231468
LogD (pH = 7.4)
3.1231463
Log P
3.1231468
Molar Refractivity
66.7216
Polarizability
25.90515
Polar Surface Area
38.33
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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