Molecule

ID:10377

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNO₂
Molecular Mass
189.63938
Exact Mass
189.05565631
Charge
0
InChI
InChI=1S/C8H12ClNO2/c1-6(11)10-4-2-7(3-5-10)8(9)12/h7H,2-5H2,1H3
InChIKey
OHCPVLJEAHBMEG-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC(C(=O)Cl)CC1
Calculated Properties
JChem
Acid pKa
19.555254
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.02350402
LogD (pH = 7.4)
0.023504093
Log P
0.023504093
Molar Refractivity
46.4997
Polarizability
17.964056
Polar Surface Area
37.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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