Molecule

ID:34829

General Information
Structure
Molecular Formula
C₇H₁₆ClNO₂
Molecular Mass
181.66044
Exact Mass
181.08695644
Charge
0
InChI
InChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)4-5-8;/h4-5,8H2,1-3H3;1H
InChIKey
DOMTZTVJNZKUNX-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)OC(C)(C)C.Cl
Isomeric Smiles
C(=O)(OC(C)(C)C)CCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6738484
LogD (pH = 7.4)
-1.5766307
Log P
0.2893909
Molar Refractivity
39.2775
Polarizability
15.9186325
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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