Molecule

ID:18863

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClN
Molecular Mass
181.66198
Exact Mass
181.06582707
Charge
0
InChI
InChI=1S/C10H12ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
InChIKey
CIHHGGKKRPPWSU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1CCCN1
Isomeric Smiles
N1C(c2ccc(cc2)Cl)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6337762
LogD (pH = 7.4)
-0.27957392
Log P
2.601204
Molar Refractivity
51.322
Polarizability
20.349665
Polar Surface Area
12.03
Rotatable Bonds
1
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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