Molecule
ID:97889
General Information
Molecular Formula
C₁₄H₁₈F₃NO
Molecular Mass
273.2940296
Exact Mass
273.13404886
Charge
0
InChI
InChI=1S/C14H18F3NO/c15-14(16,17)13(19)12-7-4-8-18(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,19H,4,7-10H2
InChIKey
LPHOHFFMCAPPFF-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)C1CCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(CCCC(C1)C(C(F)(F)F)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
11.224458
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.03398931
LogD (pH = 7.4)
1.8057805
Log P
2.749723
Molar Refractivity
68.1645
Polarizability
25.680979
Polar Surface Area
23.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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