Molecule

ID:7675

General Information
Structure
Molecular Formula
C₆H₁₃ClO
Molecular Mass
136.61982
Exact Mass
136.06549272
Charge
0
InChI
InChI=1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey
JNTPTNNCGDAGEJ-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCl
Isomeric Smiles
C(CCCO)CCCl
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6123725
LogD (pH = 7.4)
1.6123725
Log P
1.6123725
Molar Refractivity
36.3166
Polarizability
14.232541
Polar Surface Area
20.23
Rotatable Bonds
5
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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