Molecule

ID:87871

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-6-5-10(14)8-3-4-9(12)7(2)11(8)13-6/h3-5H,1-2H3,(H,13,14)
InChIKey
LOJPYUFGOCWEHF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
n1c(cc(c2ccc(c(c12)C)Cl)O)C
Calculated Properties
JChem
Acid pKa
11.073881
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0757968
LogD (pH = 7.4)
3.076076
Log P
3.0761714
Molar Refractivity
56.3977
Polarizability
22.941256
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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