Molecule

ID:74404

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO
Molecular Mass
191.69832
Exact Mass
191.10769188
Charge
0
InChI
InChI=1S/C9H17NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h8H,3-7H2,1-2H3;1H
InChIKey
CLVHTSWMNNSUSH-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCCCC1=O)C.Cl
Isomeric Smiles
O=C1C(CCCC1)CN(C)C.Cl
Calculated Properties
JChem
Acid pKa
19.161072
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.6315693
LogD (pH = 7.4)
0.041869506
Log P
1.4591559
Molar Refractivity
46.3234
Polarizability
18.177366
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
No Data Available
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Molecule Details
References
Bioactivity
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