Molecule

ID:34548

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅FN₂
Molecular Mass
194.2486032
Exact Mass
194.12192671
Charge
0
InChI
InChI=1S/C11H15FN2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13-14H,5-8H2
InChIKey
ZSYRYBOMHWXRDF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NC1CCNCC1
Isomeric Smiles
N1CCC(CC1)Nc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.9921706
LogD (pH = 7.4)
-1.2631073
Log P
1.2324841
Molar Refractivity
56.6246
Polarizability
21.123232
Polar Surface Area
24.06
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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