Molecule

ID:53417

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClN
Molecular Mass
167.6354
Exact Mass
167.05017701
Charge
0
InChI
InChI=1S/C9H10ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,11H,1-2,5H2
InChIKey
PASUADIMFGAUDB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)CCCN2
Isomeric Smiles
c12c(cc(cc2)Cl)CCCN1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4819949
LogD (pH = 7.4)
2.533823
Log P
2.5345259
Molar Refractivity
48.9672
Polarizability
18.033718
Polar Surface Area
12.03
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
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Molecule Details
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References
Bioactivity
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