Molecule

ID:121770

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉NO₃
Molecular Mass
355.47056
Exact Mass
355.21474379
Charge
0
InChI
InChI=1S/C22H29NO3/c1-21(2,3)15-11-16(22(4,5)6)20(25)17(12-15)23-13-14-9-8-10-18(26-7)19(14)24/h8-13,24-25H,1-7H3/b23-13+
InChIKey
LDDVWSFLGVJYJN-YDZHTSKRSA-N
Canonic Smiles
COc1cccc(c1O)/C=N/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1(c(c(/N=C/c2c(c(OC)ccc2)O)cc(c1)C(C)(C)C)O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
8.948844
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
6.1726594
LogD (pH = 7.4)
6.1607184
Log P
6.172817
Molar Refractivity
109.1444
Polarizability
40.771217
Polar Surface Area
62.05
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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