Molecule

ID:13560

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉FN₂
Molecular Mass
210.2910632
Exact Mass
210.15322684
Charge
0
InChI
InChI=1S/C12H19FN2/c1-15(2)9-3-8-14-10-11-4-6-12(13)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKey
ZWWMYTHOWTVQTQ-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCc1ccc(cc1)F)C
Isomeric Smiles
c1c(ccc(c1)CNCCCN(C)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5474339
LogD (pH = 7.4)
-1.1101205
Log P
1.7529008
Molar Refractivity
62.4069
Polarizability
24.077324
Polar Surface Area
15.27
Rotatable Bonds
6
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
No Data Available
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Molecule Details
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References
Bioactivity
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