Molecule

ID:47842

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇FN₂
Molecular Mass
196.2644832
Exact Mass
196.13757677
Charge
0
InChI
InChI=1S/C11H17FN2/c1-3-4-7-14(2)11-6-5-9(13)8-10(11)12/h5-6,8H,3-4,7,13H2,1-2H3
InChIKey
QCKXTOYBYJRCFP-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(cc1F)N)C
Isomeric Smiles
c1(c(ccc(c1)N)N(CCCC)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6050234
LogD (pH = 7.4)
2.717325
Log P
2.7189646
Molar Refractivity
59.277
Polarizability
21.465578
Polar Surface Area
29.26
Rotatable Bonds
4
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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