Molecule

ID:29636

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₀ClNO₂
Molecular Mass
387.9428
Exact Mass
387.19650689
Charge
0
InChI
InChI=1S/C23H30ClNO2/c1-18(27-23-10-6-5-9-22(23)24)17-25-20-11-13-21(14-12-20)26-16-15-19-7-3-2-4-8-19/h5-6,9-14,18-19,25H,2-4,7-8,15-17H2,1H3
InChIKey
IYRXYTIMCWHTDF-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1Cl)CNc1ccc(cc1)OCCC1CCCCC1
Isomeric Smiles
c1(OC(CNc2ccc(cc2)OCCC2CCCCC2)C)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.2572527
LogD (pH = 7.4)
6.4311805
Log P
6.4339204
Molar Refractivity
112.9138
Polarizability
43.828854
Polar Surface Area
30.49
Rotatable Bonds
9
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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