Molecule

ID:28763

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO₂
Molecular Mass
319.82578
Exact Mass
319.13390663
Charge
0
InChI
InChI=1S/C18H22ClNO2/c1-21-12-13-22-17-9-4-8-16(14-17)20-11-5-7-15-6-2-3-10-18(15)19/h2-4,6,8-10,14,20H,5,7,11-13H2,1H3
InChIKey
SDCXRLWDMVLSDN-UHFFFAOYSA-N
Canonic Smiles
COCCOc1cccc(c1)NCCCc1ccccc1Cl
Isomeric Smiles
c1c(NCCCc2c(Cl)cccc2)cccc1OCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.2460346
LogD (pH = 7.4)
4.302357
Log P
4.303125
Molar Refractivity
92.5319
Polarizability
35.263695
Polar Surface Area
30.49
Rotatable Bonds
9
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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