Molecule

ID:76876

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClN
Molecular Mass
121.60848
Exact Mass
121.06582707
Charge
0
InChI
InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
InChIKey
VEIWYFRREFUNRC-UHFFFAOYSA-N
Canonic Smiles
C1CCCNC1.Cl
Isomeric Smiles
N1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5751903
LogD (pH = 7.4)
-2.1490471
Log P
0.65748763
Molar Refractivity
26.8354
Polarizability
10.75224
Polar Surface Area
12.03
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
No Data Available
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Molecule Details
References
Bioactivity
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