Molecule

ID:17371

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClNO
Molecular Mass
189.68244
Exact Mass
189.09204182
Charge
0
InChI
InChI=1S/C9H16ClNO/c1-7-3-8(2)6-11(5-7)9(12)4-10/h7-8H,3-6H2,1-2H3
InChIKey
WNKGBPXZARYZIM-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CC(C)CC(C1)C
Isomeric Smiles
N1(C(=O)CCl)CC(CC(C1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5347193
LogD (pH = 7.4)
1.5347193
Log P
1.5347193
Molar Refractivity
50.0977
Polarizability
19.627949
Polar Surface Area
20.31
Rotatable Bonds
1
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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