Molecule
ID:18457
General Information
Molecular Formula
C₂H₇ClFN
Molecular Mass
99.5350832
Exact Mass
99.02510513
Charge
0
InChI
InChI=1S/C2H6FN.ClH/c3-1-2-4;/h1-2,4H2;1H
InChIKey
YRRZGBOZBIVMJT-UHFFFAOYSA-N
Canonic Smiles
NCCF.Cl
Isomeric Smiles
C(CN)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-3.293215
LogD (pH = 7.4)
-1.8969549
Log P
-0.4244691
Molar Refractivity
14.519
Polarizability
5.687982
Polar Surface Area
26.02
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
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Bioactivity
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