Molecule

ID:72992

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO₄
Molecular Mass
379.87774
Exact Mass
379.155036
Charge
0
InChI
InChI=1S/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H
InChIKey
VMPLLPIDRGXFTQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)CC1NCCc2c1cc(OC)c(c2)OC.Cl
Isomeric Smiles
c1(c(cc2c(c1)CCNC2Cc1ccc(c(c1)OC)OC)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.11081835
LogD (pH = 7.4)
1.1754836
Log P
3.0136995
Molar Refractivity
97.5062
Polarizability
37.99663
Polar Surface Area
48.95
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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