Molecule

ID:24736

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO
Molecular Mass
137.60788
Exact Mass
137.06074169
Charge
0
InChI
InChI=1S/C5H11NO.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H
InChIKey
LJRCWNIWOVZLKS-UHFFFAOYSA-N
Canonic Smiles
C1CNCCOC1.Cl
Isomeric Smiles
N1CCCOCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.549002
LogD (pH = 7.4)
-2.61494
Log P
-0.35141918
Molar Refractivity
28.6333
Polarizability
11.428371
Polar Surface Area
21.26
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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