Molecule

ID:75193

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO
Molecular Mass
243.6883
Exact Mass
243.04509163
Charge
0
InChI
InChI=1S/C14H10ClNO/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h2-8H,1H3
InChIKey
BGAMCDWSLKLEJQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(Cl)c1c(n2)cccc1
Isomeric Smiles
n1c2c(c(c3cc(ccc13)OC)Cl)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.790787
LogD (pH = 7.4)
3.9501169
Log P
3.952601
Molar Refractivity
67.3255
Polarizability
28.916641
Polar Surface Area
22.12
Rotatable Bonds
1
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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