Molecule

ID:70905

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈Cl₂N₂
Molecular Mass
201.13722
Exact Mass
200.08470395
Charge
0
InChI
InChI=1S/C7H16N2.2ClH/c1-6(2)9-4-3-7(8)5-9;;/h6-7H,3-5,8H2,1-2H3;2*1H
InChIKey
VBJDQXDPLUEPER-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(C1)C(C)C.Cl.Cl
Isomeric Smiles
NC1CN(CC1)C(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.951802
LogD (pH = 7.4)
-2.795723
Log P
0.1147705
Molar Refractivity
39.6719
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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