Molecule

ID:40987

General Information
Structure
Molecular Formula
C₇H₉ClFNO
Molecular Mass
177.6038632
Exact Mass
177.03566981
Charge
0
InChI
InChI=1S/C7H8FNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
InChIKey
YZNDOVGYWWHJBB-UHFFFAOYSA-N
Canonic Smiles
NOCc1ccc(cc1)F.Cl
Isomeric Smiles
NOCc1ccc(F)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4901806
LogD (pH = 7.4)
1.5044544
Log P
1.5046394
Molar Refractivity
37.16
Polarizability
14.055497
Polar Surface Area
35.25
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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