Molecule

ID:29093

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁Cl₂NO
Molecular Mass
338.27144
Exact Mass
337.10001966
Charge
0
InChI
InChI=1S/C18H21Cl2NO/c1-2-3-4-12-22-15-10-8-14(9-11-15)13-21-17-7-5-6-16(19)18(17)20/h5-11,21H,2-4,12-13H2,1H3
InChIKey
JBTINZXCICWECH-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)CNc1cccc(c1Cl)Cl
Isomeric Smiles
c1(c(NCc2ccc(cc2)OCCCCC)cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
17.383211
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.9890513
LogD (pH = 7.4)
5.9893785
Log P
5.9893827
Molar Refractivity
95.4118
Polarizability
36.544685
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
No Data Available
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Molecule Details
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References
Bioactivity
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