Molecule

ID:61985

General Information
Structure
Molecular Formula
C₁₈H₁₈F₂N₂O
Molecular Mass
316.3451264
Exact Mass
316.13871965
Charge
0
InChI
InChI=1S/C18H18F2N2O/c1-22-7-6-21-17(18(22)23)10-12-4-2-3-5-16(12)13-8-14(19)11-15(20)9-13/h2-5,8-9,11,17,21H,6-7,10H2,1H3
InChIKey
PFLMUBOMMJQMSP-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)cc(c1)c1ccccc1CC1NCCN(C1=O)C
Isomeric Smiles
C1(=O)N(CCNC1Cc1c(c2cc(cc(c2)F)F)cccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4242507
LogD (pH = 7.4)
2.7716455
Log P
2.9117093
Molar Refractivity
85.1065
Polarizability
33.62682
Polar Surface Area
32.34
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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