Molecule

ID:29451

General Information
Structure
Molecular Formula
C₁₉H₂₄ClNO₂
Molecular Mass
333.85236
Exact Mass
333.14955669
Charge
0
InChI
InChI=1S/C19H24ClNO2/c1-3-4-11-22-18-7-5-6-17(14-18)21-10-12-23-19-9-8-16(20)13-15(19)2/h5-9,13-14,21H,3-4,10-12H2,1-2H3
InChIKey
FJOHVAZTKPEUFC-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)NCCOc1ccc(cc1C)Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCNc1cc(OCCCC)ccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.366815
LogD (pH = 7.4)
5.373679
Log P
5.3737674
Molar Refractivity
96.9868
Polarizability
37.08552
Polar Surface Area
30.49
Rotatable Bonds
9
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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