Molecule

ID:63463

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClN
Molecular Mass
119.5926
Exact Mass
119.05017701
Charge
0
InChI
InChI=1S/C5H9N.ClH/c1-2-4-6-5-3-1;/h1-2,6H,3-5H2;1H
InChIKey
AFCYWWIZGOUXCF-UHFFFAOYSA-N
Canonic Smiles
N1CCC=CC1.Cl
Isomeric Smiles
Cl.C1=CCNCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.765106
LogD (pH = 7.4)
-2.0286653
Log P
0.45147347
Molar Refractivity
27.798
Polarizability
10.519826
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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