Molecule

ID:12693

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O
Molecular Mass
208.2321232
Exact Mass
208.10119127
Charge
0
InChI
InChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
InChIKey
KXFXHXPKGLLUGX-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)N1CCNCC1
Isomeric Smiles
C1NCCN(C1)C(=O)c1cc(ccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3959996
LogD (pH = 7.4)
0.3178907
Log P
0.8780118
Molar Refractivity
55.9016
Polarizability
21.004782
Polar Surface Area
32.34
Rotatable Bonds
1
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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