Molecule

ID:30301

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClFNO
Molecular Mass
281.7529832
Exact Mass
281.09827007
Charge
0
InChI
InChI=1S/C15H16FNO.ClH/c1-18-15-8-4-13(5-9-15)11-17-10-12-2-6-14(16)7-3-12;/h2-9,17H,10-11H2,1H3;1H
InChIKey
DFKHPFUMFNXTQA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccc(cc1)F.Cl
Isomeric Smiles
N(Cc1ccc(cc1)OC)Cc1ccc(F)cc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.256227
LogD (pH = 7.4)
1.7978483
Log P
3.2410984
Molar Refractivity
70.5982
Polarizability
27.29209
Polar Surface Area
21.26
Rotatable Bonds
5
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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