Molecule

ID:50438

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅FN₂O
Molecular Mass
222.2587032
Exact Mass
222.11684133
Charge
0
InChI
InChI=1S/C12H15FN2O/c13-11-3-1-2-10(8-11)9-15-7-6-14-5-4-12(15)16/h1-3,8,14H,4-7,9H2
InChIKey
HCGHYJUSFLXCJH-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)CN1CCNCCC1=O
Isomeric Smiles
N1(C(=O)CCNCC1)Cc1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6972091
LogD (pH = 7.4)
0.034915853
Log P
0.8581772
Molar Refractivity
59.953
Polarizability
23.046637
Polar Surface Area
32.34
Rotatable Bonds
2
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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