Molecule

ID:17897

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClNO
Molecular Mass
151.63446
Exact Mass
151.07639175
Charge
0
InChI
InChI=1S/C6H13NO.ClH/c7-4-6-2-1-3-8-5-6;/h6H,1-5,7H2;1H
InChIKey
ADKXKWJPOISVRF-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCOC1.Cl
Isomeric Smiles
C1(CCCOC1)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1849203
LogD (pH = 7.4)
-2.7320364
Log P
-0.16211529
Molar Refractivity
33.1135
Polarizability
13.269628
Polar Surface Area
35.25
Rotatable Bonds
1
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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