Molecule

ID:63449

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)4-6;/h5,7H,2-4H2,1H3;1H
InChIKey
YLCXUMVXZXALMZ-UHFFFAOYSA-N
Canonic Smiles
CCN1CC(C1)O.Cl
Isomeric Smiles
Cl.OC1CN(C1)CC
Calculated Properties
JChem
Acid pKa
14.793842
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2850094
LogD (pH = 7.4)
-0.63191265
Log P
-0.25488245
Molar Refractivity
28.7302
Polarizability
11.356206
Polar Surface Area
23.47
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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