Molecule

ID:15552

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₂
Molecular Mass
237.16932
Exact Mass
236.08470395
Charge
0
InChI
InChI=1S/C10H16N2.2ClH/c1-8(2)10-5-3-9(4-6-10)7-12-11;;/h3-6,8,12H,7,11H2,1-2H3;2*1H
InChIKey
KADAMLCHSPZDTH-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccc(cc1)C(C)C.Cl.Cl
Isomeric Smiles
c1cc(ccc1C(C)C)CNN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9398925
LogD (pH = 7.4)
2.1557858
Log P
2.159368
Molar Refractivity
63.6991
Polarizability
20.509481
Polar Surface Area
38.05
Rotatable Bonds
3
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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