Molecule

ID:46903

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₄ClNO
Molecular Mass
339.94306
Exact Mass
339.23289239
Charge
0
InChI
InChI=1S/C20H33NO.ClH/c1-19(2,3)16-9-10-18(17(12-16)20(4,5)6)22-14-15-8-7-11-21-13-15;/h9-10,12,15,21H,7-8,11,13-14H2,1-6H3;1H
InChIKey
QSUUNFRFRQNDIO-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(ccc1OCC1CCCNC1)C(C)(C)C)(C)C.Cl
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCC1CNCCC1)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8297156
LogD (pH = 7.4)
2.4873028
Log P
5.051603
Molar Refractivity
94.7286
Polarizability
37.47691
Polar Surface Area
21.26
Rotatable Bonds
5
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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