Molecule

ID:130693

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆ClNO₄
Molecular Mass
367.86704
Exact Mass
367.155036
Charge
0
InChI
InChI=1S/C19H25NO4.ClH/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13;/h4-8,14-17H,3,9-12H2,1-2H3;1H/t14-,15+,16-,17+;/m0./s1
InChIKey
ROEIOKRMKFGKTA-RGWPEEHPSA-N
Canonic Smiles
CCCOC(=O)[C@@H]1[C@H](C[C@H]2N([C@@H]1CC2)C)OC(=O)c1ccccc1.Cl
Isomeric Smiles
CCCOC(=O)[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.09086109
LogD (pH = 7.4)
1.7751182
Log P
3.1614385
Molar Refractivity
90.433
Polarizability
35.843838
Polar Surface Area
55.84
Rotatable Bonds
7
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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