Molecule

ID:22339

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO
Molecular Mass
317.85296
Exact Mass
317.15464207
Charge
0
InChI
InChI=1S/C19H23NO.ClH/c1-2-4-16(5-3-1)14-17-6-8-19(9-7-17)21-15-18-10-12-20-13-11-18;/h1-9,18,20H,10-15H2;1H
InChIKey
KTAHNYFCGACMDN-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1ccc(cc1)Cc1ccccc1.Cl
Isomeric Smiles
N1CCC(COc2ccc(Cc3ccccc3)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.78030664
LogD (pH = 7.4)
1.2410774
Log P
4.0117273
Molar Refractivity
87.2328
Polarizability
34.269157
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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