Molecule

ID:131427

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClF₃N
Molecular Mass
267.7182896
Exact Mass
267.10016189
Charge
0
InChI
InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H
InChIKey
ZXKXJHAOUFHNAS-UHFFFAOYSA-N
Canonic Smiles
CCNC(Cc1cccc(c1)C(F)(F)F)C.Cl
Isomeric Smiles
CCNC(C)Cc1cccc(c1)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.24381867
LogD (pH = 7.4)
0.7935381
Log P
3.4714873
Molar Refractivity
59.2021
Polarizability
21.97514
Polar Surface Area
12.03
Rotatable Bonds
5
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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