Molecule
ID:21202
General Information
Molecular Formula
C₁₉H₂₇NO₅
Molecular Mass
349.42138
Exact Mass
349.18892297
Charge
0
InChI
InChI=1S/C19H27NO5/c1-11-7-12(2)13(3)16(8-11)24-14-9-15(17(21)22)20(10-14)18(23)25-19(4,5)6/h7-8,14-15H,9-10H2,1-6H3,(H,21,22)/t14-,15-/m0/s1
InChIKey
KOELDDFRSKUVKW-GJZGRUSLSA-N
Canonic Smiles
Cc1cc(O[C@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)O)c(c(c1)C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1c(c(cc(c1)C)C)C
Calculated Properties
JChem
Acid pKa
4.028813
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.4309304
LogD (pH = 7.4)
0.7704589
Log P
3.9127698
Molar Refractivity
93.7608
Polarizability
36.43419
Polar Surface Area
76.07
Rotatable Bonds
5
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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