Molecule

ID:12646

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉ClFNO
Molecular Mass
295.7795632
Exact Mass
295.11392013
Charge
0
InChI
InChI=1S/C16H18FNO.ClH/c1-19-16-9-5-3-7-14(16)12-18-11-10-13-6-2-4-8-15(13)17;/h2-9,18H,10-12H2,1H3;1H
InChIKey
BPVPPWZWOHHWPQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCCc1ccccc1F.Cl
Isomeric Smiles
c1ccc(c(c1)CCNCc1c(cccc1)OC)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4536775
LogD (pH = 7.4)
1.8583535
Log P
3.5297596
Molar Refractivity
75.3532
Polarizability
29.062206
Polar Surface Area
21.26
Rotatable Bonds
6
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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