Molecule

ID:21077

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClF₃NO
Molecular Mass
267.6752296
Exact Mass
267.06377638
Charge
0
InChI
InChI=1S/C11H12F3NO.ClH/c12-11(13,14)8-1-3-9(4-2-8)16-10-5-6-15-7-10;/h1-4,10,15H,5-7H2;1H
InChIKey
QVLWPPNOVSOMCG-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)OC1CNCC1)(F)F.Cl
Isomeric Smiles
C(c1ccc(OC2CCNC2)cc1)(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.95312953
LogD (pH = 7.4)
-0.46499842
Log P
2.2772214
Molar Refractivity
53.7859
Polarizability
20.27555
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
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References
Bioactivity
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