Molecule

ID:104911

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClN
Molecular Mass
135.63506
Exact Mass
135.08147713
Charge
0
InChI
InChI=1S/C6H14ClN/c1-3-8(4-2)6-5-7/h3-6H2,1-2H3
InChIKey
YMDNODNLFSHHCV-UHFFFAOYSA-N
Canonic Smiles
ClCCN(CC)CC
Isomeric Smiles
CCN(CC)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.280223
LogD (pH = 7.4)
0.47621664
Log P
1.5682752
Molar Refractivity
38.8286
Polarizability
15.121751
Polar Surface Area
3.24
Rotatable Bonds
4
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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