Molecule

ID:45758

General Information
Structure
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-2-9(11)12-7-8-3-5-10-6-4-8;/h8,10H,2-7H2,1H3;1H
InChIKey
MLVICWWTNVVWCZ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CCNCC1)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5039778
LogD (pH = 7.4)
-2.0432062
Log P
0.7274431
Molar Refractivity
47.0141
Polarizability
18.871552
Polar Surface Area
38.33
Rotatable Bonds
4
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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