Molecule

ID:89666

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄Cl₂N₂
Molecular Mass
209.11616
Exact Mass
208.05340382
Charge
0
InChI
InChI=1S/C8H12N2.2ClH/c1-10(2)8-5-3-7(9)4-6-8;;/h3-6H,9H2,1-2H3;2*1H
InChIKey
IAEDWDXMFDKWFU-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)N)C.Cl.Cl
Isomeric Smiles
Nc1ccc(cc1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.047667995
LogD (pH = 7.4)
1.1568817
Log P
1.2523637
Molar Refractivity
45.187
Polarizability
16.303928
Polar Surface Area
29.26
Rotatable Bonds
1
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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