Molecule

ID:97164

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇FN₂
Molecular Mass
208.2751832
Exact Mass
208.13757677
Charge
0
InChI
InChI=1S/C12H17FN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2
InChIKey
KZCHYFUMQQWGJK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CN1CCNCCC1
Isomeric Smiles
N1CCCN(Cc2ccc(cc2)F)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6662753
LogD (pH = 7.4)
-1.002695
Log P
1.581376
Molar Refractivity
60.4379
Polarizability
23.346273
Polar Surface Area
15.27
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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