Molecule

ID:74397

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇Cl₂N
Molecular Mass
186.12258
Exact Mass
185.07380491
Charge
0
InChI
InChI=1S/C7H16ClN.ClH/c1-3-9(4-2)7-5-6-8;/h3-7H2,1-2H3;1H
InChIKey
FBDKONZGCAAZJK-UHFFFAOYSA-N
Canonic Smiles
ClCCCN(CC)CC.Cl
Isomeric Smiles
N(CC)(CC)CCCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.6739221
LogD (pH = 7.4)
-0.20493709
Log P
1.628235
Molar Refractivity
43.694
Polarizability
16.962568
Polar Surface Area
3.24
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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