Molecule

ID:28963

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO
Molecular Mass
317.85296
Exact Mass
317.15464207
Charge
0
InChI
InChI=1S/C19H24ClNO/c1-3-4-5-13-22-17-11-9-16(10-12-17)14-21-19-8-6-7-18(20)15(19)2/h6-12,21H,3-5,13-14H2,1-2H3
InChIKey
MDJMGRXGERMMGR-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)CNc1cccc(c1C)Cl
Isomeric Smiles
c1(c(NCc2ccc(cc2)OCCCCC)cccc1Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.895052
LogD (pH = 7.4)
5.8987126
Log P
5.8987594
Molar Refractivity
95.6482
Polarizability
36.420673
Polar Surface Area
21.26
Rotatable Bonds
8
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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