Molecule

ID:100463

General Information
Structure
MolImage
Molecular Formula
C₉H₈FN
Molecular Mass
149.1649232
Exact Mass
149.06407748
Charge
0
InChI
InChI=1S/C9H8FN/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7H,2,4H2
InChIKey
HSQZIMFMEVQRMO-UHFFFAOYSA-N
Canonic Smiles
N#CCCc1cccc(c1)F
Isomeric Smiles
N#CCCc1cc(ccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2562137
LogD (pH = 7.4)
2.2562137
Log P
2.2562137
Molar Refractivity
41.1623
Polarizability
15.349248
Polar Surface Area
23.79
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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