Molecule

ID:56338

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClNO₂
Molecular Mass
339.81542
Exact Mass
339.1026065
Charge
0
InChI
InChI=1S/C20H18ClNO2/c1-2-3-11-24-15-8-6-7-14(12-15)19-13-17(20(21)23)16-9-4-5-10-18(16)22-19/h4-10,12-13H,2-3,11H2,1H3
InChIKey
ZOQMSNIBORRGJD-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Cl
Isomeric Smiles
c1(cc(nc2c1cccc2)c1cc(OCCCC)ccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.521094
LogD (pH = 7.4)
5.5211163
Log P
5.5211163
Molar Refractivity
96.195
Polarizability
39.734997
Polar Surface Area
39.19
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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