Molecule

ID:20816

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂ClNO
Molecular Mass
315.83708
Exact Mass
315.13899201
Charge
0
InChI
InChI=1S/C19H22ClNO/c20-18-6-7-19(22-14-16-8-10-21-11-9-16)17(13-18)12-15-4-2-1-3-5-15/h1-7,13,16,21H,8-12,14H2
InChIKey
GWBAPTHHRHABQY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cc1ccccc1)OCC1CCNCC1
Isomeric Smiles
c1(c(OCC2CCNCC2)ccc(c1)Cl)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3843514
LogD (pH = 7.4)
1.8451221
Log P
4.6157722
Molar Refractivity
92.0376
Polarizability
36.07706
Polar Surface Area
21.26
Rotatable Bonds
5
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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