Molecule

ID:73765

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClO
Molecular Mass
238.75306
Exact Mass
238.11244291
Charge
0
InChI
InChI=1S/C14H19ClO/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3
InChIKey
WHTFLTOKFXTJGV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccc(cc1)C(=O)Cl
Isomeric Smiles
ClC(=O)c1ccc(cc1)CCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.3449917
LogD (pH = 7.4)
5.3449917
Log P
5.3449917
Molar Refractivity
69.8199
Polarizability
26.881472
Polar Surface Area
17.07
Rotatable Bonds
7
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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