Molecule

ID:14200

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Cl₂N₂
Molecular Mass
261.19072
Exact Mass
260.08470395
Charge
0
InChI
InChI=1S/C12H16N2.2ClH/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12;;/h2-5,10,12-13H,6-8H2,1H3;2*1H
InChIKey
UYOQLRWPQRXCPG-UHFFFAOYSA-N
Canonic Smiles
CN1CCC2C(C1)c1ccccc1N2.Cl.Cl
Isomeric Smiles
c12C3C(Nc1cccc2)CCN(C3)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0689774
LogD (pH = 7.4)
-0.45799223
Log P
1.1127118
Molar Refractivity
60.1563
Polarizability
22.528479
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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