Molecule

ID:48390

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClF₃N₂
Molecular Mass
306.7543296
Exact Mass
306.11106093
Charge
0
InChI
InChI=1S/C14H18ClF3N2/c1-2-20(11-6-4-3-5-7-11)13-12(15)8-10(9-19-13)14(16,17)18/h8-9,11H,2-7H2,1H3
InChIKey
LAHPVDGRVRCUGQ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncc(cc1Cl)C(F)(F)F)C1CCCCC1
Isomeric Smiles
c1(ncc(C(F)(F)F)cc1Cl)N(C1CCCCC1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.091724
LogD (pH = 7.4)
5.0959916
Log P
5.0960464
Molar Refractivity
75.1845
Polarizability
27.587914
Polar Surface Area
16.13
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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