Molecule
ID:33633
General Information
Molecular Formula
C₁₃H₁₇FN₂O
Molecular Mass
236.2852832
Exact Mass
236.13249139
Charge
0
InChI
InChI=1S/C13H17FN2O/c14-11-6-4-10(5-7-11)12(13(15)17)16-8-2-1-3-9-16/h4-7,12H,1-3,8-9H2,(H2,15,17)
InChIKey
STPCMKBXSFJGCV-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(c1ccc(cc1)F)N1CCCCC1
Isomeric Smiles
N1(C(C(=O)N)c2ccc(cc2)F)CCCCC1
Calculated Properties
JChem
Acid pKa
15.227677
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.31812033
LogD (pH = 7.4)
1.6557592
Log P
1.7907076
Molar Refractivity
64.6112
Polarizability
24.880894
Polar Surface Area
46.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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