Molecule
ID:121427
General Information
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-7,13H,8H2
InChIKey
AZLFBUOESSYUET-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1NCc1ccco1
Isomeric Smiles
c1(occc1)CNc1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
16.357578
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8346624
LogD (pH = 7.4)
2.834787
Log P
2.8347883
Molar Refractivity
58.0601
Polarizability
21.633566
Polar Surface Area
25.17
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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