Molecule

ID:112130

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄ClNO₂
Molecular Mass
357.87376
Exact Mass
357.14955669
Charge
0
InChI
InChI=1S/C21H23NO2.ClH/c23-20(16-8-3-1-4-9-16)14-18-12-7-13-19(22-18)15-21(24)17-10-5-2-6-11-17;/h1-6,8-11,18-19,22H,7,12-15H2;1H
InChIKey
RTYYAGBTRNIDJV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CC1CCCC(N1)CC(=O)c1ccccc1.Cl
Isomeric Smiles
Cl.O=C(CC1CCCC(CC(=O)c2ccccc2)N1)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.721362
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.63453
LogD (pH = 7.4)
2.02926
Log P
3.715492
Molar Refractivity
95.378
Polarizability
37.421425
Polar Surface Area
46.17
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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