Molecule

ID:53994

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃N₂
Molecular Mass
250.6480096
Exact Mass
250.04846067
Charge
0
InChI
InChI=1S/C10H10ClF3N2/c11-8-5-7(10(12,13)14)6-9(15-8)16-3-1-2-4-16/h5-6H,1-4H2
InChIKey
UHHIKCCJOGKVQD-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(cc(c1)C(F)(F)F)N1CCCC1
Isomeric Smiles
N1(CCCC1)c1nc(cc(c1)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5657172
LogD (pH = 7.4)
3.5659397
Log P
3.5659425
Molar Refractivity
58.024
Polarizability
20.40754
Polar Surface Area
16.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
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