Molecule

ID:81880

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl
Molecular Mass
170.6791
Exact Mass
170.08622816
Charge
0
InChI
InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKey
OZNXTQSXSHODFR-UHFFFAOYSA-N
Canonic Smiles
ClC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
ClC12CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.927421
LogD (pH = 7.4)
2.927421
Log P
2.927421
Molar Refractivity
46.9291
Polarizability
18.777433
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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