Molecule

ID:99959

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃ClFN
Molecular Mass
237.7004232
Exact Mass
237.07205532
Charge
0
InChI
InChI=1S/C13H12FN.ClH/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15;/h1-8H,9,15H2;1H
InChIKey
HQPHXUJGWSXSRC-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1c1ccc(cc1)F.Cl
Isomeric Smiles
Fc1ccc(cc1)c1ccccc1CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.11395702
LogD (pH = 7.4)
0.6815093
Log P
2.8889415
Molar Refractivity
59.884
Polarizability
24.344296
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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