Molecule

ID:124793

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Cl₂N₂
Molecular Mass
261.19072
Exact Mass
260.08470395
Charge
0
InChI
InChI=1S/C12H17ClN2.ClH/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15;/h1-4,12H,5-9,14H2;1H
InChIKey
DTDXRUMMEROPLL-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1ccc(cc1)Cl.Cl
Isomeric Smiles
N1(Cc2ccc(Cl)cc2)CCC(CC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7435367
LogD (pH = 7.4)
-1.1047461
Log P
1.7298651
Molar Refractivity
64.7873
Polarizability
25.563103
Polar Surface Area
29.26
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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