Molecule

ID:59264

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂
Molecular Mass
170.63934
Exact Mass
170.06107604
Charge
0
InChI
InChI=1S/C8H11ClN2/c1-5(2)7-6(3)4-10-8(9)11-7/h4-5H,1-3H3
InChIKey
QHRFEWDDNILWRM-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)C(C)C)C
Isomeric Smiles
n1c(c(cnc1Cl)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.846599
LogD (pH = 7.4)
2.8465996
Log P
2.8465996
Molar Refractivity
47.055
Polarizability
17.74795
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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