Molecule

ID:20814

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆ClNO
Molecular Mass
307.85814
Exact Mass
307.17029214
Charge
0
InChI
InChI=1S/C18H26ClNO/c19-16-6-7-18(21-13-14-8-10-20-11-9-14)17(12-16)15-4-2-1-3-5-15/h6-7,12,14-15,20H,1-5,8-11,13H2
InChIKey
WRQHLQFLLRGQCJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C1CCCCC1)OCC1CCNCC1
Isomeric Smiles
c1(c(OCC2CCNCC2)ccc(c1)Cl)C1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4075465
LogD (pH = 7.4)
1.8683174
Log P
4.6389675
Molar Refractivity
88.492
Polarizability
34.951763
Polar Surface Area
21.26
Rotatable Bonds
4
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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