Molecule

ID:61623

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClNO₂
Molecular Mass
165.61798
Exact Mass
165.05565631
Charge
0
InChI
InChI=1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H
InChIKey
HIGULTVOVROJID-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCCC1.Cl
Isomeric Smiles
C1CCN(C1)CC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
1.7844414
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6566224
LogD (pH = 7.4)
-2.6569748
Log P
-2.6565864
Molar Refractivity
33.6137
Polarizability
13.120767
Polar Surface Area
40.54
Rotatable Bonds
2
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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