Molecule

ID:95284

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇ClF₃NO
Molecular Mass
343.7711896
Exact Mass
343.09507651
Charge
0
InChI
InChI=1S/C17H17ClF3NO/c1-10-7-13(8-11(2)16(10)18)23-15-6-5-12(17(19,20)21)9-14(15)22(3)4/h5-9H,1-4H3
InChIKey
HHPNXIGWZXJQQL-UHFFFAOYSA-N
Canonic Smiles
CN(c1cc(ccc1Oc1cc(C)c(c(c1)C)Cl)C(F)(F)F)C
Isomeric Smiles
O(c1cc(c(c(c1)C)Cl)C)c1ccc(cc1N(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.0902634
LogD (pH = 7.4)
6.090312
Log P
6.090313
Molar Refractivity
87.5883
Polarizability
31.916443
Polar Surface Area
12.47
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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