Molecule

ID:89166

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁ClN₂
Molecular Mass
134.60724
Exact Mass
134.06107604
Charge
0
InChI
InChI=1S/C5H10N2.ClH/c6-5(7)4-2-1-3-4;/h4H,1-3H2,(H3,6,7);1H
InChIKey
JTEUMXCIBFVEJX-UHFFFAOYSA-N
Canonic Smiles
NC(=N)C1CCC1.Cl
Isomeric Smiles
NC(=N)C1CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.1515481
LogD (pH = 7.4)
-2.1510913
Log P
0.26390475
Molar Refractivity
39.0602
Polarizability
11.0722275
Polar Surface Area
49.87
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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