Molecule

ID:62502

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3
InChIKey
JTCYBIQASPKCFC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cn(c2c1cccc2)C
Isomeric Smiles
c1(cn(c2c1cccc2)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.002485
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3906753
LogD (pH = 7.4)
2.3906753
Log P
2.3906753
Molar Refractivity
57.1972
Polarizability
22.849775
Polar Surface Area
22.0
Rotatable Bonds
2
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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