Molecule

ID:61653

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅FN₂O₂
Molecular Mass
250.2688032
Exact Mass
250.11175595
Charge
0
InChI
InChI=1S/C13H15FN2O2/c14-10-2-1-3-11(8-10)16-9-13(18-12(16)17)4-6-15-7-5-13/h1-3,8,15H,4-7,9H2
InChIKey
CHJIZJMFNIVWLC-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)N1CC2(OC1=O)CCNCC2
Isomeric Smiles
C1(=O)N(c2cc(F)ccc2)CC2(O1)CCNCC2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9859335
LogD (pH = 7.4)
-1.2828373
Log P
1.2330173
Molar Refractivity
63.9539
Polarizability
24.876934
Polar Surface Area
41.57
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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