Molecule

ID:57291

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO
Molecular Mass
189.68244
Exact Mass
189.09204182
Charge
0
InChI
InChI=1S/C9H16ClNO/c1-8-3-2-6-11(7-8)9(12)4-5-10/h8H,2-7H2,1H3
InChIKey
ULKRTQFQKRYNJA-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)N1CCCC(C1)C
Isomeric Smiles
N1(C(=O)CCCl)CC(CCC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4067591
LogD (pH = 7.4)
1.4067593
Log P
1.4067593
Molar Refractivity
50.3255
Polarizability
19.62536
Polar Surface Area
20.31
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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