Molecule

ID:29162

General Information
Structure
Molecular Formula
C₁₈H₂₁ClFNO
Molecular Mass
321.8168432
Exact Mass
321.1295702
Charge
0
InChI
InChI=1S/C18H21ClFNO/c1-13(2)8-9-22-16-5-3-4-14(10-16)12-21-15-6-7-18(20)17(19)11-15/h3-7,10-11,13,21H,8-9,12H2,1-2H3
InChIKey
HIFOQYZROOBQMF-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)CNc1ccc(c(c1)Cl)F)C
Isomeric Smiles
c1(cc(NCc2cc(OCCC(C)C)ccc2)ccc1F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.365163
LogD (pH = 7.4)
5.370423
Log P
5.3704906
Molar Refractivity
90.771
Polarizability
34.328217
Polar Surface Area
21.26
Rotatable Bonds
7
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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