Molecule

ID:97158

General Information
Structure
Molecular Formula
C₇H₆ClFO
Molecular Mass
160.5733432
Exact Mass
160.00912071
Charge
0
InChI
InChI=1S/C7H6ClFO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey
RWKKEILFRAYSDQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Cl)F
Isomeric Smiles
O(c1cc(c(cc1)F)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5623212
LogD (pH = 7.4)
2.5623212
Log P
2.5623212
Molar Refractivity
37.5424
Polarizability
14.482411
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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