Molecule

ID:17362

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO
Molecular Mass
223.69866
Exact Mass
223.07639175
Charge
0
InChI
InChI=1S/C12H14ClNO/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,14,15)
InChIKey
SLQUITRGZWAZBX-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NC1CCCc2c1cccc2
Isomeric Smiles
c12C(NC(=O)CCl)CCCc1cccc2
Calculated Properties
JChem
Acid pKa
12.020768
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4439974
LogD (pH = 7.4)
2.4439883
Log P
2.4439976
Molar Refractivity
60.9102
Polarizability
23.597418
Polar Surface Area
29.1
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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