Molecule

ID:75117

General Information
Structure
MolImage
Molecular Formula
C₃H₉Cl₂N
Molecular Mass
130.01626
Exact Mass
129.01120465
Charge
0
InChI
InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKey
IHPRVZKJZGXTBQ-UHFFFAOYSA-N
Canonic Smiles
NCCCCl.Cl
Isomeric Smiles
ClCCCN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.9242377
LogD (pH = 7.4)
-2.482903
Log P
0.098990716
Molar Refractivity
24.1275
Polarizability
9.609011
Polar Surface Area
26.02
Rotatable Bonds
2
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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