Molecule

ID:125380

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄FN
Molecular Mass
167.2232632
Exact Mass
167.11102767
Charge
0
InChI
InChI=1S/C10H14FN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3
InChIKey
RRVAUTPWWWFYQT-UHFFFAOYSA-N
Canonic Smiles
CNC(Cc1cccc(c1)F)C
Isomeric Smiles
Fc1cccc(CC(NC)C)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8438776
LogD (pH = 7.4)
-0.21207064
Log P
2.3795328
Molar Refractivity
48.6962
Polarizability
18.790325
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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