Molecule

ID:29989

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₂N
Molecular Mass
115.0808264
Exact Mass
115.02335554
Charge
0
InChI
InChI=1S/C5H3F2N/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKey
WLAKUAILRGATSL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccnc(c1)F
Isomeric Smiles
c1(cc(ccn1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4349079
LogD (pH = 7.4)
1.4349079
Log P
1.4349079
Molar Refractivity
25.3486
Polarizability
8.946236
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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