Molecule
ID:120282
General Information
Molecular Formula
C₁₉H₂₂ClNO₄
Molecular Mass
363.83528
Exact Mass
363.12373587
Charge
0
InChI
InChI=1S/C19H21NO4.ClH/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18;/h7-9,13,21-22H,4-6H2,1-3H3;1H/t13-;/m0./s1
InChIKey
MUGNKMCHLPQCMV-ZOWNYOTGSA-N
Canonic Smiles
COc1cc2c(cc1O)C[C@H]1c3c2c(OC)c(O)cc3CCN1C.Cl
Isomeric Smiles
c12c3c4c(C[C@@H]1N(CCc2cc(c3OC)O)C)cc(c(c4)OC)O.Cl
Calculated Properties
JChem
Acid pKa
9.484911
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.1592791
LogD (pH = 7.4)
2.593731
Log P
2.7789388
Molar Refractivity
92.9145
Polarizability
36.63441
Polar Surface Area
62.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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