Molecule

ID:99863

General Information
Structure
Molecular Formula
C₇H₉ClFNO
Molecular Mass
177.6038632
Exact Mass
177.03566981
Charge
0
InChI
InChI=1S/C7H8FNO.ClH/c1-10-7-4-5(8)2-3-6(7)9;/h2-4H,9H2,1H3;1H
InChIKey
MHQFRPFBJOEPGE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)ccc1N.Cl
Isomeric Smiles
Nc1c(cc(cc1)F)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1210527
LogD (pH = 7.4)
1.129245
Log P
1.1293505
Molar Refractivity
37.438
Polarizability
13.679371
Polar Surface Area
35.25
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
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Molecule Details
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References
Bioactivity
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