Molecule

ID:31922

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Cl₂N₂O
Molecular Mass
277.19012
Exact Mass
276.07961857
Charge
0
InChI
InChI=1S/C12H17ClN2O.ClH/c13-11-3-1-2-10(8-11)12(9-14)15-4-6-16-7-5-15;/h1-3,8,12H,4-7,9,14H2;1H
InChIKey
RRXDNNPHUUTWHL-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccc(c1)Cl)N1CCOCC1.Cl
Isomeric Smiles
N1(C(c2cc(Cl)ccc2)CN)CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3323106
LogD (pH = 7.4)
0.044084646
Log P
1.56297
Molar Refractivity
66.1
Polarizability
26.250164
Polar Surface Area
38.49
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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