Molecule

ID:34538

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃FN₂
Molecular Mass
180.2220232
Exact Mass
180.10627665
Charge
0
InChI
InChI=1S/C10H13FN2/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10/h1-4,10,12-13H,5-7H2
InChIKey
OGNLBWVIULUBBM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NC1CNCC1
Isomeric Smiles
N1CC(CC1)Nc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.061782
LogD (pH = 7.4)
-1.678003
Log P
1.1725243
Molar Refractivity
51.7592
Polarizability
19.283844
Polar Surface Area
24.06
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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