Molecule

ID:35135

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂
Molecular Mass
245.14826
Exact Mass
244.05340382
Charge
0
InChI
InChI=1S/C11H13ClN2.ClH/c1-7-9(4-5-13)10-6-8(12)2-3-11(10)14-7;/h2-3,6,14H,4-5,13H2,1H3;1H
InChIKey
OWBCWPKSLSERBL-UHFFFAOYSA-N
Canonic Smiles
Cc1c(CCN)c2c([nH]1)ccc(c2)Cl.Cl
Isomeric Smiles
[nH]1c(c(c2c1ccc(c2)Cl)CCN)C.Cl
Calculated Properties
JChem
Acid pKa
17.170948
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.7169201
LogD (pH = 7.4)
0.028391598
Log P
2.2900434
Molar Refractivity
60.3274
Polarizability
24.308619
Polar Surface Area
41.81
Rotatable Bonds
2
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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