Molecule

ID:129291

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClFN₂
Molecular Mass
226.6777832
Exact Mass
226.06730429
Charge
0
InChI
InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
InChIKey
XJJZQXUGLLXTHO-UHFFFAOYSA-N
Canonic Smiles
CC(Cn1ccc2c1cc(Cl)c(c2)F)N
Isomeric Smiles
Clc1cc2n(CC(C)N)ccc2cc1F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.35367453
LogD (pH = 7.4)
0.2564165
Log P
2.6620216
Molar Refractivity
59.431
Polarizability
24.042067
Polar Surface Area
30.95
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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