Molecule

ID:18798

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FN
Molecular Mass
193.2605432
Exact Mass
193.12667774
Charge
0
InChI
InChI=1S/C12H16FN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2
InChIKey
CFJIWRVURZRCAP-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)c1ccc(cc1)F
Isomeric Smiles
C1(c2ccc(cc2)F)(CN)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.28783822
LogD (pH = 7.4)
0.6615874
Log P
2.6987624
Molar Refractivity
55.7723
Polarizability
21.743015
Polar Surface Area
26.02
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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