Molecule

ID:67401

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClFN
Molecular Mass
131.5354232
Exact Mass
130.993805
Charge
0
InChI
InChI=1S/C5H3ClFN/c6-4-1-2-8-5(7)3-4/h1-3H
InChIKey
GNJKJKBURMCLOR-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc(c1)F
Isomeric Smiles
c1(cc(ccn1)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8962506
LogD (pH = 7.4)
1.8962507
Log P
1.8962507
Molar Refractivity
29.937
Polarizability
11.081108
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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