Molecule

ID:35802

General Information
Structure
Molecular Formula
C₈H₁₄ClNO₃
Molecular Mass
207.65466
Exact Mass
207.06622099
Charge
0
InChI
InChI=1S/C8H14ClNO3/c9-7-8(11)13-6-3-10-1-4-12-5-2-10/h1-7H2
InChIKey
BQPCPSUYJYODLY-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OCCN1CCOCC1
Isomeric Smiles
N1(CCOC(=O)CCl)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.042996433
LogD (pH = 7.4)
0.2545513
Log P
0.26003623
Molar Refractivity
49.2596
Polarizability
19.648924
Polar Surface Area
38.77
Rotatable Bonds
5
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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