Molecule

ID:98315

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClF
Molecular Mass
170.6112232
Exact Mass
170.02985616
Charge
0
InChI
InChI=1S/C9H8ClF/c1-2-3-7-4-8(10)6-9(11)5-7/h2,4-6H,1,3H2
InChIKey
UPJHEYDJNWCHEA-UHFFFAOYSA-N
Canonic Smiles
C=CCc1cc(F)cc(c1)Cl
Isomeric Smiles
Clc1cc(cc(c1)F)CC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8185632
LogD (pH = 7.4)
3.8185632
Log P
3.8185632
Molar Refractivity
45.3665
Polarizability
17.13739
Polar Surface Area
0.0
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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