Molecule

ID:14520

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3
InChIKey
WABDZSKKLDCIRM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(Cl)cc(n2)C
Isomeric Smiles
c12c(nc(cc2Cl)C)ccc(c1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6902711
LogD (pH = 7.4)
2.7084076
Log P
2.7086442
Molar Refractivity
55.8388
Polarizability
23.095636
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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