Molecule

ID:45263

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₂
Molecular Mass
237.16932
Exact Mass
236.08470395
Charge
0
InChI
InChI=1S/C10H16N2.2ClH/c1-12(2)10-5-3-9(4-6-10)7-8-11;;/h3-6H,7-8,11H2,1-2H3;2*1H
InChIKey
IFDGRNGFANEVFY-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)N(C)C.Cl.Cl
Isomeric Smiles
c1(N(C)C)ccc(cc1)CCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6882786
LogD (pH = 7.4)
-0.8740681
Log P
1.4957193
Molar Refractivity
53.715
Polarizability
20.316917
Polar Surface Area
29.26
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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