Molecule

ID:15748

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈Cl₂N₂
Molecular Mass
201.13722
Exact Mass
200.08470395
Charge
0
InChI
InChI=1S/C7H16N2.2ClH/c1-9-4-2-7(6-8)3-5-9;;/h7H,2-6,8H2,1H3;2*1H
InChIKey
QJOPPLGHTCLBJO-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)C.Cl.Cl
Isomeric Smiles
C1C(CCN(C1)C)CN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-6.5555763
LogD (pH = 7.4)
-4.8843756
Log P
-0.13805199
Molar Refractivity
40.1879
Polarizability
15.965017
Polar Surface Area
29.26
Rotatable Bonds
1
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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