Molecule

ID:20063

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO
Molecular Mass
309.78944
Exact Mass
309.09204182
Charge
0
InChI
InChI=1S/C19H16ClNO/c20-17-13-16(21)10-11-19(17)22-18-9-5-4-8-15(18)12-14-6-2-1-3-7-14/h1-11,13H,12,21H2
InChIKey
YOWUQCNFTMEJIX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1ccccc1Cc1ccccc1
Isomeric Smiles
O(c1c(cc(N)cc1)Cl)c1c(Cc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.333914
LogD (pH = 7.4)
5.340363
Log P
5.3404455
Molar Refractivity
91.5412
Polarizability
35.054752
Polar Surface Area
35.25
Rotatable Bonds
4
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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