Molecule

ID:75726

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅Cl₂NO
Molecular Mass
200.1061
Exact Mass
199.05306947
Charge
0
InChI
InChI=1S/C7H14ClNO.ClH/c8-2-1-3-9-4-6-10-7-5-9;/h1-7H2;1H
InChIKey
PQECODMSWJOUAT-UHFFFAOYSA-N
Canonic Smiles
ClCCCN1CCOCC1.Cl
Isomeric Smiles
N1(CCOCC1)CCCCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.80407095
LogD (pH = 7.4)
0.5532894
Log P
0.6961186
Molar Refractivity
43.2713
Polarizability
16.948196
Polar Surface Area
12.47
Rotatable Bonds
3
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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