Molecule

ID:34755

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO
Molecular Mass
197.66138
Exact Mass
197.06074169
Charge
0
InChI
InChI=1S/C10H12ClNO/c1-2-12(10(13)8-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
JJZBASRBEGDLNO-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccccc1)C(=O)CCl
Isomeric Smiles
N(C(=O)CCl)(c1ccccc1)CC
Calculated Properties
JChem
Acid pKa
16.792072
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.969174
LogD (pH = 7.4)
1.969174
Log P
1.969174
Molar Refractivity
53.5387
Polarizability
20.712301
Polar Surface Area
20.31
Rotatable Bonds
3
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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