Molecule

ID:124251

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c12-9-2-1-3-10-8(9)4-6-13(10)7-5-11(14)15/h1-4,6H,5,7H2,(H,14,15)
InChIKey
JXKDUTBKUKUDPG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCn1ccc2c1cccc2Cl
Isomeric Smiles
c12ccn(c1cccc2Cl)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.3290663
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4173361
LogD (pH = 7.4)
-0.32691708
Log P
2.6147246
Molar Refractivity
57.63
Polarizability
23.437294
Polar Surface Area
42.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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