Molecule

ID:136709

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄BCl₂N
Molecular Mass
181.89906
Exact Mass
181.05963521
Charge
0
InChI
InChI=1S/C6H14BCl2N/c1-5(2)10(6(3)4)7(8)9/h5-6H,1-4H3
InChIKey
SQJYZIVNKOIKKX-UHFFFAOYSA-N
Canonic Smiles
ClB(N(C(C)C)C(C)C)Cl
Isomeric Smiles
B(N(C(C)C)C(C)C)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6183732
LogD (pH = 7.4)
2.6183996
Log P
2.6184
Molar Refractivity
44.5008
Polarizability
18.957054
Polar Surface Area
3.24
Rotatable Bonds
3
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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