Molecule

ID:15426

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClNO
Molecular Mass
165.66104
Exact Mass
165.09204182
Charge
0
InChI
InChI=1S/C7H15NO.ClH/c1-9-6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H
InChIKey
FLRDPZJPRQWKLD-UHFFFAOYSA-N
Canonic Smiles
COCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0025132
LogD (pH = 7.4)
-2.5417588
Log P
0.22890837
Molar Refractivity
37.9869
Polarizability
15.112169
Polar Surface Area
21.26
Rotatable Bonds
2
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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