Molecule

ID:75579

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₃N₂
Molecular Mass
269.5985
Exact Mass
268.03008153
Charge
0
InChI
InChI=1S/C10H14Cl2N2.ClH/c1-6(2)5-14-10-4-8(12)7(11)3-9(10)13;/h3-4,6,14H,5,13H2,1-2H3;1H
InChIKey
AFTKEWSQGGSBNV-UHFFFAOYSA-N
Canonic Smiles
CC(CNc1cc(Cl)c(cc1N)Cl)C.Cl
Isomeric Smiles
N(c1cc(c(cc1N)Cl)Cl)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.026845
LogD (pH = 7.4)
3.0689266
Log P
3.0694904
Molar Refractivity
64.306
Polarizability
23.731853
Polar Surface Area
38.05
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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