Molecule

ID:11764

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO₂
Molecular Mass
189.5715032
Exact Mass
188.99928431
Charge
0
InChI
InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3
InChIKey
SJDPAVRCQNFVDM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(C)c(cc1Cl)F
Isomeric Smiles
c1(c(cc(c(c1)C)F)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.173398
LogD (pH = 7.4)
3.173398
Log P
3.173398
Molar Refractivity
42.4409
Polarizability
15.733135
Polar Surface Area
43.14
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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