Molecule

ID:17868

General Information
Structure
Molecular Formula
C₇H₁₆ClNO
Molecular Mass
165.66104
Exact Mass
165.09204182
Charge
0
InChI
InChI=1S/C7H15NO.ClH/c8-4-1-2-7-3-5-9-6-7;/h7H,1-6,8H2;1H
InChIKey
CLZWNLCSKOKAMP-UHFFFAOYSA-N
Canonic Smiles
NCCCC1COCC1.Cl
Isomeric Smiles
C1C(COC1)CCCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7830844
LogD (pH = 7.4)
-2.3630974
Log P
0.24089664
Molar Refractivity
37.8133
Polarizability
15.112169
Polar Surface Area
35.25
Rotatable Bonds
3
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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