Molecule

ID:17314

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉FN₂
Molecular Mass
234.3124632
Exact Mass
234.15322684
Charge
0
InChI
InChI=1S/C14H19FN2/c15-13-3-1-11(2-4-13)9-16-14-10-17-7-5-12(14)6-8-17/h1-4,12,14,16H,5-10H2
InChIKey
ODXHPSVOSUKGKP-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNC1CN2CCC1CC2
Isomeric Smiles
C12C(CN(CC1)CC2)NCc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0143178
LogD (pH = 7.4)
-0.06125837
Log P
2.0499456
Molar Refractivity
67.4927
Polarizability
26.301247
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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