Molecule

ID:35605

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁Cl₂N
Molecular Mass
204.09634
Exact Mass
203.02685472
Charge
0
InChI
InChI=1S/C9H11Cl2N/c1-2-3-12-9-5-7(10)4-8(11)6-9/h4-6,12H,2-3H2,1H3
InChIKey
OCQKLLNZTLAQBU-UHFFFAOYSA-N
Canonic Smiles
CCCNc1cc(Cl)cc(c1)Cl
Isomeric Smiles
c1(cc(cc(c1)Cl)Cl)NCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5202532
LogD (pH = 7.4)
3.5332751
Log P
3.5334437
Molar Refractivity
55.134
Polarizability
20.736315
Polar Surface Area
12.03
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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