Molecule

ID:20962

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅ClF₃NO
Molecular Mass
281.7018096
Exact Mass
281.07942645
Charge
0
InChI
InChI=1S/C12H14F3NO.ClH/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10;/h1-3,8,10,16H,4-7H2;1H
InChIKey
UCMHLADZICGHSS-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)OC1CCNCC1)(F)F.Cl
Isomeric Smiles
Cl.c1c(cc(cc1)OC1CCNCC1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8702175
LogD (pH = 7.4)
-0.025898894
Log P
2.3371813
Molar Refractivity
58.6513
Polarizability
22.086561
Polar Surface Area
21.26
Rotatable Bonds
3
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
References
Bioactivity
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