Molecule

ID:12202

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClN₂
Molecular Mass
170.63934
Exact Mass
170.06107604
Charge
0
InChI
InChI=1S/C8H10N2.ClH/c9-10-6-5-7-3-1-2-4-8(7)10;/h1-4H,5-6,9H2;1H
InChIKey
RAGNOCNBVIIEHM-UHFFFAOYSA-N
Canonic Smiles
NN1CCc2c1cccc2.Cl
Isomeric Smiles
N1(CCc2ccccc12)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9353334
LogD (pH = 7.4)
1.4393637
Log P
1.451693
Molar Refractivity
52.8796
Polarizability
15.776928
Polar Surface Area
29.26
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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