Molecule

ID:56396

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO₂
Molecular Mass
311.76226
Exact Mass
311.07130637
Charge
0
InChI
InChI=1S/C18H14ClNO2/c1-11-6-7-16-14(8-11)15(18(19)21)10-17(20-16)12-4-3-5-13(9-12)22-2/h3-10H,1-2H3
InChIKey
YJRJMNGPMGIIHM-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1nc2ccc(cc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(c2c(nc(c1)c1cc(OC)ccc1)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.7106094
LogD (pH = 7.4)
4.7106385
Log P
4.710639
Molar Refractivity
87.3626
Polarizability
35.96005
Polar Surface Area
39.19
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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