Molecule

ID:29159

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClFNO
Molecular Mass
307.7902632
Exact Mass
307.11392013
Charge
0
InChI
InChI=1S/C17H19ClFNO/c1-3-14(21-17-7-5-4-6-12(17)2)11-20-13-8-9-16(19)15(18)10-13/h4-10,14,20H,3,11H2,1-2H3
InChIKey
MUHGAWLIRHEOAX-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccccc1C)CNc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(cc(NCC(Oc2c(C)cccc2)CC)ccc1F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.278967
LogD (pH = 7.4)
5.289207
Log P
5.289339
Molar Refractivity
85.8092
Polarizability
32.418835
Polar Surface Area
21.26
Rotatable Bonds
6
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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