Molecule

ID:74396

General Information
Structure
Molecular Formula
C₈H₁₉Cl₂N
Molecular Mass
200.14916
Exact Mass
199.08945497
Charge
0
InChI
InChI=1S/C8H18ClN.ClH/c1-7(2)10(6-5-9)8(3)4;/h7-8H,5-6H2,1-4H3;1H
InChIKey
IUSXYVRFJVAVOB-UHFFFAOYSA-N
Canonic Smiles
ClCCN(C(C)C)C(C)C.Cl
Isomeric Smiles
N(CCCl)(C(C)C)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.8135989
LogD (pH = 7.4)
0.7662351
Log P
2.4014254
Molar Refractivity
47.6662
Polarizability
18.805185
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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