Molecule

ID:67274

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClN
Molecular Mass
121.60848
Exact Mass
121.06582707
Charge
0
InChI
InChI=1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
InChIKey
NYYRRBOMNHUCLB-UHFFFAOYSA-N
Canonic Smiles
ClCCCN(C)C
Isomeric Smiles
C(CCN(C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.0992334
LogD (pH = 7.4)
-0.38915446
Log P
0.914619
Molar Refractivity
34.1968
Polarizability
13.281594
Polar Surface Area
3.24
Rotatable Bonds
3
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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