Molecule

ID:68147

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClN
Molecular Mass
121.60848
Exact Mass
121.06582707
Charge
0
InChI
InChI=1S/C5H11N.ClH/c1-5-3-2-4-6-5;/h5-6H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKey
JNEIFWYJFOEKIM-JEDNCBNOSA-N
Canonic Smiles
C[C@H]1CCCN1.Cl
Isomeric Smiles
N1[C@H](CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.611706
LogD (pH = 7.4)
-2.5516837
Log P
0.629494
Molar Refractivity
26.6532
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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