Molecule

ID:66283

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FN₂
Molecular Mass
180.2220232
Exact Mass
180.10627665
Charge
0
InChI
InChI=1S/C10H13FN2/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2
InChIKey
NZAKSEMIIIZYEM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1NCCNC1
Isomeric Smiles
N1C(CNCC1)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.882199
LogD (pH = 7.4)
-0.3758278
Log P
1.1981353
Molar Refractivity
49.948
Polarizability
19.66226
Polar Surface Area
24.06
Rotatable Bonds
1
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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