Molecule

ID:15817

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂
Molecular Mass
208.2751832
Exact Mass
208.13757677
Charge
0
InChI
InChI=1S/C12H17FN2/c13-12-6-2-1-4-10(12)8-15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7-9,14H2
InChIKey
GWZXDUNOKGHEME-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)Cc1ccccc1F
Isomeric Smiles
C1CC(CN(C1)Cc1c(cccc1)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.864448
LogD (pH = 7.4)
-0.46666324
Log P
1.7259252
Molar Refractivity
59.9781
Polarizability
23.346125
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
2
H Donor
1
Log P
1.51
LOG S
-1.0
Polar Surface Area
29.26
Rotatable Bonds
2
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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