Molecule

ID:95219

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇Cl₂F₃N₂O
Molecular Mass
381.2201896
Exact Mass
380.06700319
Charge
0
InChI
InChI=1S/C16H17Cl2F3N2O/c17-13-3-2-12(14(18)10-13)11-23-6-1-5-22(8-9-23)7-4-15(24)16(19,20)21/h2-4,7,10H,1,5-6,8-9,11H2
InChIKey
SFQZDDIGGMFERI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CN1CCCN(CC1)/C=C/C(=O)C(F)(F)F
Isomeric Smiles
N1(/C=C/C(=O)C(F)(F)F)CCN(Cc2ccc(cc2Cl)Cl)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1969457
LogD (pH = 7.4)
4.343391
Log P
4.4225783
Molar Refractivity
90.6949
Polarizability
33.616135
Polar Surface Area
23.55
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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