Molecule

ID:47151

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-2-5-11-6-7-12-9-3-4-10-8-9;/h2,9-10H,1,3-8H2;1H
InChIKey
UTCPMXGIOVEKAQ-UHFFFAOYSA-N
Canonic Smiles
C=CCOCCOC1CCNC1.Cl
Isomeric Smiles
N1CCC(OCCOCC=C)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8415468
LogD (pH = 7.4)
-2.4605653
Log P
0.3926222
Molar Refractivity
48.5097
Polarizability
19.246183
Polar Surface Area
30.49
Rotatable Bonds
6
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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