Molecule

ID:79190

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₈ClNO
Molecular Mass
369.92752
Exact Mass
369.1859422
Charge
0
InChI
InChI=1S/C23H28ClNO/c1-23(2,17-24)22(26)25-15-13-20(14-16-25)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21H,13-17H2,1-2H3
InChIKey
WFQMVMMYLGLXLP-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)N1CCC(CC1)C(c1ccccc1)c1ccccc1)(C)C
Isomeric Smiles
N1(C(=O)C(CCl)(C)C)CCC(C(c2ccccc2)c2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.427001
LogD (pH = 7.4)
5.427002
Log P
5.427002
Molar Refractivity
108.8176
Polarizability
42.407272
Polar Surface Area
20.31
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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