Molecule

ID:104485

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₉ClO
Molecular Mass
260.84316
Exact Mass
260.19069323
Charge
0
InChI
InChI=1S/C15H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3
InChIKey
PQZWQGNQOVDTRF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCC(=O)Cl
Isomeric Smiles
CCCCCCCCCCCCCCC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.3453436
LogD (pH = 7.4)
6.3453436
Log P
6.3453436
Molar Refractivity
76.3411
Polarizability
30.282701
Polar Surface Area
17.07
Rotatable Bonds
13
Lipinski's Rule of Five
false
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
References
Bioactivity
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