Molecule

ID:64034

General Information
Structure
Molecular Formula
C₅H₁₂ClNO
Molecular Mass
137.60788
Exact Mass
137.06074169
Charge
0
InChI
InChI=1S/C5H11NO.ClH/c1-7-4-5-2-6-3-5;/h5-6H,2-4H2,1H3;1H
InChIKey
PPXSXGZXOLBWJR-UHFFFAOYSA-N
Canonic Smiles
COCC1CNC1.Cl
Isomeric Smiles
Cl.C1NCC1COC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5885234
LogD (pH = 7.4)
-3.1149855
Log P
-0.3575931
Molar Refractivity
28.3253
Polarizability
11.428371
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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