Molecule

ID:68123

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H10ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2
InChIKey
AHESNFIUAHTYGS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(=O)CCCN2
Isomeric Smiles
N1c2c(C(=O)CCC1)cc(cc2)Cl
Calculated Properties
JChem
Acid pKa
11.844566
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4836755
LogD (pH = 7.4)
2.4847043
Log P
2.484719
Molar Refractivity
54.3547
Polarizability
20.021011
Polar Surface Area
29.1
Rotatable Bonds
0
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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