Molecule

ID:96963

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClFN
Molecular Mass
199.6524432
Exact Mass
199.05640526
Charge
0
InChI
InChI=1S/C10H11ClFN/c11-9-7-8(3-4-10(9)12)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKey
RYEWSNZSVSTBSF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1Cl)N1CCCC1
Isomeric Smiles
N1(c2cc(c(cc2)F)Cl)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2330317
LogD (pH = 7.4)
3.2338235
Log P
3.2338338
Molar Refractivity
53.0488
Polarizability
19.68291
Polar Surface Area
3.24
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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