Molecule

ID:4776

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO
Molecular Mass
293.40272
Exact Mass
293.17796436
Charge
0
InChI
InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKey
DVOLWKZEIDCCES-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)N1CCC(CC1)Cc1ccccc1
Isomeric Smiles
c1(ccc(C(=O)N2CCC(CC2)Cc2ccccc2)cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5004163
LogD (pH = 7.4)
4.5004177
Log P
4.5004177
Molar Refractivity
91.3576
Polarizability
34.794785
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.49
LOG S
-4.97
Solubility (Water)
3.14e-03 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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