Molecule

ID:7670

General Information
Structure
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Molecular Formula
C₆H₄ClFO
Molecular Mass
146.5467632
Exact Mass
145.99347065
Charge
0
InChI
InChI=1S/C6H4ClFO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
QIAQIYQASAWZPP-UHFFFAOYSA-N
Canonic Smiles
Oc1c(F)cccc1Cl
Isomeric Smiles
c1ccc(c(c1F)O)Cl
Calculated Properties
JChem
Acid pKa
7.0132985
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.403423
LogD (pH = 7.4)
1.8894242
Log P
2.4164271
Molar Refractivity
33.0601
Polarizability
12.596442
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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