Molecule

ID:15777

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂O
Molecular Mass
224.2745832
Exact Mass
224.13249139
Charge
0
InChI
InChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2
InChIKey
IHVXZESETSWDAC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCCN1CCNCC1
Isomeric Smiles
c1c(ccc(c1)OCCN1CCNCC1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7167665
LogD (pH = 7.4)
-0.39068893
Log P
1.4409926
Molar Refractivity
61.5121
Polarizability
24.031975
Polar Surface Area
24.5
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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