Molecule

ID:29276

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀ClNO₂
Molecular Mass
375.9321
Exact Mass
375.19650689
Charge
0
InChI
InChI=1S/C22H30ClNO2/c1-4-5-6-7-13-25-20-10-8-19(9-11-20)24-12-14-26-21-15-17(2)22(23)18(3)16-21/h8-11,15-16,24H,4-7,12-14H2,1-3H3
InChIKey
AJALTHIEVVBMIG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)NCCOc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(c(cc(cc1C)OCCNc1ccc(cc1)OCCCCCC)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.60634
LogD (pH = 7.4)
6.773711
Log P
6.776326
Molar Refractivity
111.23
Polarizability
42.53378
Polar Surface Area
30.49
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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