Molecule

ID:45563

General Information
Structure
Molecular Formula
C₉H₁₈ClNO₂
Molecular Mass
207.69772
Exact Mass
207.1026065
Charge
0
InChI
InChI=1S/C9H17NO2.ClH/c1-8(11)12-7-5-9-4-2-3-6-10-9;/h9-10H,2-7H2,1H3;1H
InChIKey
NTHVSGAAVUNQHN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCCC1CCCCN1.Cl
Isomeric Smiles
C(=O)(OCCC1NCCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7033067
LogD (pH = 7.4)
-2.2458174
Log P
0.5282379
Molar Refractivity
46.8148
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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