Molecule

ID:55686

General Information
Structure
Molecular Formula
C₁₇H₂₃ClN₂O₅
Molecular Mass
370.82792
Exact Mass
370.12954953
Charge
0
InChI
InChI=1S/C17H22N2O5.ClH/c20-16(2-1-3-17(21)22)19-8-6-18(7-9-19)11-13-4-5-14-15(10-13)24-12-23-14;/h4-5,10H,1-3,6-9,11-12H2,(H,21,22);1H
InChIKey
SQWZYCGPQQZAJI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
N1(C(=O)CCCC(=O)O)CCN(Cc2cc3c(OCO3)cc2)CC1.Cl
Calculated Properties
JChem
Acid pKa
4.0949984
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.2720575
LogD (pH = 7.4)
-2.1798847
Log P
-1.2621608
Molar Refractivity
86.1832
Polarizability
33.78284
Polar Surface Area
79.31
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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