Molecule

ID:83530

General Information
Structure
Molecular Formula
C₈H₁₉Cl₂N
Molecular Mass
200.14916
Exact Mass
199.08945497
Charge
0
InChI
InChI=1S/C8H18ClN.ClH/c1-8(2,9)6-5-7-10(3)4;/h5-7H2,1-4H3;1H
InChIKey
FBBJJLSKFYIJIO-UHFFFAOYSA-N
Canonic Smiles
CN(CCCC(Cl)(C)C)C.Cl
Isomeric Smiles
N(CCCC(Cl)(C)C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.3065
LogD (pH = 7.4)
-0.22819614
Log P
2.1291335
Molar Refractivity
47.8984
Polarizability
18.806734
Polar Surface Area
3.24
Rotatable Bonds
4
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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