Molecule

ID:69563

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClN
Molecular Mass
169.65128
Exact Mass
169.06582707
Charge
0
InChI
InChI=1S/C9H11N.ClH/c10-9-6-5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H/t9-;/m1./s1
InChIKey
RHAAGWRBIVCBSY-SBSPUUFOSA-N
Canonic Smiles
N[C@@H]1CCc2c1cccc2.Cl
Isomeric Smiles
[C@H]1(CCc2ccccc12)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3644532
LogD (pH = 7.4)
-0.62883526
Log P
1.6432385
Molar Refractivity
42.1122
Polarizability
16.613792
Polar Surface Area
26.02
Rotatable Bonds
0
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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