Molecule

ID:83545

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClIN
Molecular Mass
277.57405
Exact Mass
277.00942523
Charge
0
InChI
InChI=1S/C7H17ClN.HI/c1-7(2,8)6-9(3,4)5;/h6H2,1-5H3;1H/q+1;/p-1
InChIKey
XJLLAYGRCWETDG-UHFFFAOYSA-M
Canonic Smiles
C[N+](CC(Cl)(C)C)(C)C.[I-]
Isomeric Smiles
[N+](CC(Cl)(C)C)(C)(C)C.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.6105256
LogD (pH = 7.4)
-2.6105256
Log P
-2.6105256
Molar Refractivity
54.302
Polarizability
16.904388
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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