Molecule

ID:20040

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNO
Molecular Mass
283.75216
Exact Mass
283.07639175
Charge
0
InChI
InChI=1S/C17H14ClNO/c18-16-10-14(19)8-9-17(16)20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-10H,11,19H2
InChIKey
MGXIUQGSCALWEN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)OCc1cccc2c1cccc2
Isomeric Smiles
c1(cc(N)ccc1OCc1c2c(ccc1)cccc2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.274213
LogD (pH = 7.4)
4.3042464
Log P
4.304643
Molar Refractivity
83.0892
Polarizability
33.002644
Polar Surface Area
35.25
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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