Molecule

ID:94476

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClFO
Molecular Mass
160.5733432
Exact Mass
160.00912071
Charge
0
InChI
InChI=1S/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKey
ZZFCUESFXBCRSC-UHFFFAOYSA-N
Canonic Smiles
OCc1c(F)cccc1Cl
Isomeric Smiles
Clc1c(c(ccc1)F)CO
Calculated Properties
JChem
Acid pKa
14.255985
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9526427
LogD (pH = 7.4)
1.9526426
Log P
1.9526427
Molar Refractivity
37.8951
Polarizability
14.404866
Polar Surface Area
20.23
Rotatable Bonds
1
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
References
Bioactivity
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