Molecule

ID:76349

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇NO₅
Molecular Mass
349.42138
Exact Mass
349.18892297
Charge
0
InChI
InChI=1S/C19H27NO5/c1-18(2,3)25-17(23)20-11-5-10-19(13-20,16(21)22)12-14-6-8-15(24-4)9-7-14/h6-9H,5,10-13H2,1-4H3,(H,21,22)
InChIKey
CHSWQHSEOABKRS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CC(C(=O)O)(Cc2ccc(cc2)OC)CCC1
Calculated Properties
JChem
Acid pKa
4.304984
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0761688
LogD (pH = 7.4)
0.33668926
Log P
3.2960484
Molar Refractivity
93.5766
Polarizability
36.656033
Polar Surface Area
76.07
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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