Molecule

ID:30606

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClN
Molecular Mass
121.60848
Exact Mass
121.06582707
Charge
0
InChI
InChI=1S/C5H11N.ClH/c1-4(6)5-2-3-5;/h4-5H,2-3,6H2,1H3;1H
InChIKey
WZWFMMNJURDPFP-UHFFFAOYSA-N
Canonic Smiles
CC(C1CC1)N.Cl
Isomeric Smiles
C1(CC1)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.4562607
LogD (pH = 7.4)
-2.171581
Log P
0.5716934
Molar Refractivity
26.2796
Polarizability
10.75224
Polar Surface Area
26.02
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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