Molecule

ID:77779

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO₂
Molecular Mass
191.65526
Exact Mass
191.07130637
Charge
0
InChI
InChI=1S/C8H13NO2.ClH/c10-7(11)8-3-1-5-9(8)6-2-4-8;/h1-6H2,(H,10,11);1H
InChIKey
FNJPGFULGQUTKP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C12CCCN2CCC1.Cl
Isomeric Smiles
N12CCCC1(CCC2)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
1.671927
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9632266
LogD (pH = 7.4)
-1.9632187
Log P
-1.9631913
Molar Refractivity
40.8647
Polarizability
16.067627
Polar Surface Area
40.54
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
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Molecule Details
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References
Bioactivity
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