Molecule

ID:54697

General Information
Structure
Molecular Formula
C₇H₇ClFN
Molecular Mass
159.5885832
Exact Mass
159.02510513
Charge
0
InChI
InChI=1S/C7H7ClFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H,4,10H2
InChIKey
IGFBMQSUHFQVFE-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(F)ccc1Cl
Isomeric Smiles
NCc1c(ccc(c1)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0697529
LogD (pH = 7.4)
0.21330713
Log P
1.8457608
Molar Refractivity
39.5526
Polarizability
15.246464
Polar Surface Area
26.02
Rotatable Bonds
1
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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