Molecule

ID:24141

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO
Molecular Mass
137.60788
Exact Mass
137.06074169
Charge
0
InChI
InChI=1S/C5H11NO.ClH/c6-5-2-1-3-7-4-5;/h5H,1-4,6H2;1H
InChIKey
RETPVBQTPDYSBS-UHFFFAOYSA-N
Canonic Smiles
NC1CCCOC1.Cl
Isomeric Smiles
C1(CCCOC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.212802
LogD (pH = 7.4)
-2.454153
Log P
-0.20686984
Molar Refractivity
28.1735
Polarizability
11.428371
Polar Surface Area
35.25
Rotatable Bonds
0
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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