Molecule

ID:15807

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆Cl₂N₂
Molecular Mass
187.11064
Exact Mass
186.06905388
Charge
0
InChI
InChI=1S/C6H14N2.2ClH/c1-6-5-7-3-4-8(6)2;;/h6-7H,3-5H2,1-2H3;2*1H
InChIKey
FDTROTPXJOUASG-UHFFFAOYSA-N
Canonic Smiles
CN1CCNCC1C.Cl.Cl
Isomeric Smiles
C1NCC(N(C1)C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4545536
LogD (pH = 7.4)
-2.1590307
Log P
0.07081613
Molar Refractivity
35.1623
Polarizability
14.118806
Polar Surface Area
15.27
Rotatable Bonds
0
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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